Glycolic acid C2H4O3 structure – Flashcards
Flashcard maker : Carmen Dawson
Contents
| Molecular Formula | C2H4O3 |
| Average mass | 76.051 Da |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 265.6±13.0 °C at 760 mmHg |
| Flash Point | 128.7±16.3 °C |
| Molar Refractivity | 14.4±0.3 cm3 |
| Polarizability | 5.7±0.5 10-24cm3 |
| Surface Tension | 61.4±3.0 dyne/cm |
| Molar Volume | 53.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.4±0.1 g/cm3 |
| Boiling Point: | 265.6±13.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 58.5±6.0 kJ/mol |
| Flash Point: | 128.7±16.3 °C |
| Index of Refraction: | 1.450 |
| Molar Refractivity: | 14.4±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 2 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | -1.05 |
| ACD/LogD (pH 5.5): | -3.02 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 1.00 |
| ACD/LogD (pH 7.4): | -4.43 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 1.00 |
| Polar Surface Area: | 58 Å2 |
| Polarizability: | 5.7±0.5 10-24cm3 |
| Surface Tension: | 61.4±3.0 dyne/cm |
| Molar Volume: | 53.7±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) = -1.07 Log Kow (Exper. database match) = -1.11 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 202.74 (Adapted Stein & Brown method) Melting Pt (deg C): 23.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.017 (Modified Grain method) MP (exp database): 79.5 deg C VP (exp database): 2.00E-02 mm Hg at 25 deg C Subcooled liquid VP: 0.0692 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.11 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.54E-008 atm-m3/mole Group Method: 6.29E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.701E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.11 (exp database) Log Kaw used: -5.457 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.347 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9428 Biowin2 (Non-Linear Model) : 0.9756 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5557 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2530 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8776 Biowin6 (MITI Non-Linear Model): 0.9478 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1816 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): 9.23 Pa (0.0692 mm Hg) Log Koa (Koawin est ): 4.347 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.25E-007 Octanol/air (Koa) model: 5.46E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.17E-005 Mackay model : 2.6E-005 Octanol/air (Koa) model: 4.37E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.1118 E-12 cm3/molecule-sec Half-Life = 3.437 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 41.247 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.89E-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: -1.11 (expkow database) Volatilization from Water: Henry LC: 8.54E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5980 hours (249.1 days) Half-Life from Model Lake : 6.53E+004 hours (2721 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 2.17 82.5 1000 Water 36.5 208 1000 Soil 61.2 416 1000 Sediment 0.0632 1.87e+003 0 Persistence Time: 333 hr
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