Ethylene Glycol | C2H6O2 - ChemSpider
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Ethylene glycol 
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Comment on this record 3D Ethylene glycol - Molecular FormulaC2H6O2
- Average mass62.068 Da
- Monoisotopic mass62.036777 Da
- ChemSpider ID13835235
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users
1,2-Dihydroxyethane 1,2-Ethandiol 1,2-Ethanediol [ACD/Index Name] 1,2-éthanediol [French] 107-21-1 [RN] 203-473-3 [EINECS] Aethylenglykol [German] ethylene alcohol Ethylene glycol [ACD/IUPAC Name] [Wiki] Éthylène glycol [French] [ACD/IUPAC Name] More... Ethylenglycol [German] [ACD/IUPAC Name] glycol HO-CH2-CH2-OH [Formula] HO-PEG12-OH MFCD00002885 [MDL number] Q2Q [WLN] (1,1,2,2-2H4)Ethane-1,2-(2H2)diol 1,2-Ethanediol, 1 1,2-Ethanediol, GlenDry, anhydrous 1,2-Ethylene glycol 104700-12-1 [RN] 2219-52-5 [RN] 4407-89-0 [RN] Dihydroxyethane ETE Ethenyloxyethene Ethylene glycol 5 Mmissing Ethylene glycol-13C2 Ethylene glycolmissing Ethylene gycol ethylene-glycol Fridex Glycol, 1,2-Ethanediol Glycol, Ethylene Glycol, ethylene- Glycol, Monoethylene Glygen GXT https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457299/ Ilexan E [Trade name] Lutrol 9 [Trade name] Lutrol E lutrol-9 [Trade name] Macrogol 1500 (JP17) Macrogol 20000 (JP17) Macrogol 400 (JP17) Macrogol 4000 (JP17) Macrogol 6000 (JP17) Macrogol ointment (JP17) MFCD00081839 [MDL number] Mono Ethylene Glycol monoethylene glycol monoethylenglycol MXE norkool PEG PGA Polyethylene glycol 3350 (USP) Polyethylene glycol, 6,000,000 Ramp (van) Residual Solvent Class 2 - Ethylene Glycol Solbanon [Trade name] Solbanon (TN) tescol Zerex β-propylene glycol 乙二醇 [Chinese] Less...Validated by Experts, Validated by Users, Non-Validated, Removed by Users
02393_FLUKA [DBID] 03394_FLUKA [DBID] 03395_FLUKA [DBID] 03461_FLUKA [DBID] 03462_FLUKA [DBID] 03463_FLUKA [DBID] 03464_FLUKA [DBID] 03465_FLUKA [DBID] 03466_FLUKA [DBID] 03467_FLUKA [DBID] More... 03468_FLUKA [DBID] 03469_FLUKA [DBID] 03473_FLUKA [DBID] 03557_FLUKA [DBID] 03747_FLUKA [DBID] 03770_FLUKA [DBID] 03997_FLUKA [DBID] 102466_ALDRICH [DBID] 17738_FLUKA [DBID] 181986_ALDRICH [DBID] 181994_ALDRICH [DBID] 182001_ALDRICH [DBID] 182028_ALDRICH [DBID] 189456_ALDRICH [DBID] 189464_ALDRICH [DBID] 189472_ALDRICH [DBID] 202371_ALDRICH [DBID] 202398_ALDRICH [DBID] 202401_ALDRICH [DBID] 202436_ALDRICH [DBID] 202444_ALDRICH [DBID] 202452_ALDRICH [DBID] 202487_ALDRICH [DBID] 202495_ALDRICH [DBID] 202509_ALDRICH [DBID] 293237_ALDRICH [DBID] 295906_ALDRICH [DBID] 309028_ALDRICH [DBID] 324558_ALDRICH [DBID] 33068_RIEDEL [DBID] 372773_ALDRICH [DBID] 372781_ALDRICH [DBID] 372803_ALDRICH [DBID] 372811_ALDRICH [DBID] 372838_ALDRICH [DBID] 372994_ALDRICH [DBID] 373001_ALDRICH [DBID] 44101_FLUKA [DBID] 55235_FLUKA [DBID] 637726_ALDRICH [DBID] 71578_FLUKA [DBID] 73034_FLUKA [DBID] 76293_FLUKA [DBID] 81150_FLUKA [DBID] 81160_FLUKA [DBID] 81162_FLUKA [DBID] 81170_FLUKA [DBID] 81172_FLUKA [DBID] 81180_FLUKA [DBID] 81187_FLUKA [DBID] 81188_FLUKA [DBID] 81189_FLUKA [DBID] 81190_FLUKA [DBID] 81200_FLUKA [DBID] 81201_FLUKA [DBID] 81202_FLUKA [DBID] 81205_FLUKA [DBID] 81206_FLUKA [DBID] 81208_FLUKA [DBID] 81209_FLUKA [DBID] 81210_FLUKA [DBID] 81212_FLUKA [DBID] 81213_FLUKA [DBID] 81214_FLUKA [DBID] 81221_FLUKA [DBID] 81227_FLUKA [DBID] 81230_FLUKA [DBID] 81240_FLUKA [DBID] 81242_FLUKA [DBID] 81253_FLUKA [DBID] 81255_FLUKA [DBID] 81260_FLUKA [DBID] 81268_FLUKA [DBID] 81269_FLUKA [DBID] 81272_FLUKA [DBID] 81275_FLUKA [DBID] 81280_FLUKA [DBID] 81282_FLUKA [DBID] 81283_FLUKA [DBID] 81284_FLUKA [DBID] 81285_FLUKA [DBID] 81286_FLUKA [DBID] 81287_FLUKA [DBID] 81288_FLUKA [DBID] 81289_FLUKA [DBID] 81290_FLUKA [DBID] 81291_FLUKA [DBID] 81292_FLUKA [DBID] 81293_FLUKA [DBID] 81294_FLUKA [DBID] 81296_FLUKA [DBID] 81298_FLUKA [DBID] 81300_FLUKA [DBID] 81304_FLUKA [DBID] 81310_FLUKA [DBID] 81323_FLUKA [DBID] 81396_FLUKA [DBID] 8197326 [DBID] 83271_FLUKA [DBID] 83272_FLUKA [DBID] 84184_FLUKA [DBID] 84797_FLUKA [DBID] 85978_FLUKA [DBID] 86101_FLUKA [DBID] 87006_FLUKA [DBID] 87333_FLUKA [DBID] 88276_FLUKA [DBID] 88440_FLUKA [DBID] 89510_FLUKA [DBID] 89782_FLUKA [DBID] 90878_FLUKA [DBID] 91893_FLUKA [DBID] 92897_FLUKA [DBID] 94646_FLUKA [DBID] 95172_FLUKA [DBID] 95904_FLUKA [DBID] 96699_FLUKA [DBID] AI3-03050 [DBID] AIDS017549 [DBID] AIDS-017549 [DBID] BRN 1700198 [DBID] C01380 [DBID] c0542 [DBID] C15588 [DBID] Caswell No. 441 [DBID] CCRIS 3744 [DBID] CHEBI:30742 [DBID] D03370 [DBID] D06418 [DBID] D06419 [DBID] D06420 [DBID] D06421 [DBID] D06422 [DBID] D06423 [DBID] D06424 [DBID] EPA Pesticide Chemical Code 042203 [DBID] HSDB 5012 [DBID] M6768_SIGMA [DBID] NCGC00091510-01 [DBID] NCI-C00920 [DBID] NCIOpen2_001979 [DBID] NCIOpen2_002019 [DBID] NCIOpen2_002100 [DBID] NSC 93876 [DBID] NSC 97395 [DBID] NSC152324 [DBID] NSC152325 [DBID] NSC155081 [DBID] NSC32853 [DBID] NSC32854 [DBID] NSC32855 [DBID] NSC32856 [DBID] NSC35745 [DBID] NSC35746 [DBID] NSC35747 [DBID] NSC35748 [DBID] NSC35749 [DBID] NSC57859 [DBID] NSC93876 [DBID] P0694_SIAL [DBID] P1458_SIAL [DBID] P2139_SIAL [DBID] P2263_SIGMA [DBID] P2906_SIGMA [DBID] P3015_SIAL [DBID] P3265_SIGMA [DBID] P3515_SIGMA [DBID] P3640_SIGMA [DBID] P4338_SIAL [DBID] P4463_SIAL [DBID] P5402_SIAL [DBID] P5413_SIAL [DBID] P6644_SIAL [DBID] P6667_SIAL [DBID] P7181_SIGMA [DBID] P7306_SIGMA [DBID] P7777_SIGMA [DBID] PEG 1500 [DBID] PEG 6000 [DBID] PEG 8000 [DBID] ST5214442 [DBID] Ucar 17 [DBID] UNII:FC72KVT52F [DBID] UNII-FC72KVT52F [DBID] ZINC05224354 [DBID] Less...- Experimental data
- Predicted - ACD/Labs
- Predicted - EPISuite
- Predicted - ChemAxon
- Predicted - Mcule
- Experimental Physico-chemical Properties
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Experimental Melting Point:
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Experimental Boiling Point:
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Experimental Vapor Pressure:
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Experimental Flash Point:
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Experimental Freezing Point:
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Experimental Refraction Index:
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Experimental Solubility:
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Experimental Density:
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- Miscellaneous
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Appearance:
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Toxicity:
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Incompatibility:
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Retention Index (Kovats):
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Retention Index (Normal Alkane):
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Retention Index (Linear):
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 197.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.8 mmHg at 25°C |
| Enthalpy of Vaporization: | 50.5±6.0 kJ/mol |
| Flash Point: | 108.2±13.0 °C |
| Index of Refraction: | 1.422 |
| Molar Refractivity: | 14.4±0.3 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 2 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -1.69 |
| ACD/LogD (pH 5.5): | -1.25 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 4.97 |
| ACD/LogD (pH 7.4): | -1.25 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 4.97 |
| Polar Surface Area: | 40 Å2 |
| Polarizability: | 5.7±0.5 10-24cm3 |
| Surface Tension: | 43.4±3.0 dyne/cm |
| Molar Volume: | 56.6±3.0 cm3 |
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.20 Log Kow (Exper. database match) = -1.36 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 153.53 (Adapted Stein & Brown method) Melting Pt (deg C): -31.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0609 (Mean VP of Antoine & Grain methods) MP (exp database): -13 deg C BP (exp database): 197.3 deg C VP (exp database): 9.20E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.36 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L ( deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.31E-007 atm-m3/mole Group Method: 5.60E-011 atm-m3/mole Exper Database: 6.00E-08 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.974E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.36 (exp database) Log Kaw used: -5.610 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.250 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0355 Biowin2 (Non-Linear Model) : 0.9874 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3819 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0171 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9486 Biowin6 (MITI Non-Linear Model): 0.9734 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1536 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 12.3 Pa (0.092 mm Hg) Log Koa (Koawin est ): 4.250 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.45E-007 Octanol/air (Koa) model: 4.37E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.83E-006 Mackay model : 1.96E-005 Octanol/air (Koa) model: 3.49E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3217 E-12 cm3/molecule-sec Half-Life = 1.285 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.424 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.42E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.36 (expkow database) Volatilization from Water: Henry LC: 6E-008 atm-m3/mole (Henry experimental database) Half-Life from Model River: 7689 hours (320.4 days) Half-Life from Model Lake : 8.394E+004 hours (3498 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.46 33.3 1000 Water 37 208 1000 Soil 61.4 416 1000 Sediment 0.0641 1.87e+003 0 Persistence Time: 325 hr Click to predict properties on the Chemicalize site
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