2-Butoxyethanol acetate C8H16O3 structure – Flashcards
Flashcard maker : Paula Corcoran
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
- Retention Index (Linear):
Molecular Formula | C8H16O3 |
Average mass | 160.211 Da |
Density | 0.9±0.1 g/cm3 |
Boiling Point | 192.0±0.0 °C at 760 mmHg |
Flash Point | 76.1±0.0 °C |
Molar Refractivity | 42.6±0.3 cm3 |
Polarizability | 16.9±0.5 10-24cm3 |
Surface Tension | 28.8±3.0 dyne/cm |
Molar Volume | 170.4±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 0.9±0.1 g/cm3 |
Boiling Point: | 192.0±0.0 °C at 760 mmHg |
Vapour Pressure: | 0.5±0.3 mmHg at 25°C |
Enthalpy of Vaporization: | 42.8±3.0 kJ/mol |
Flash Point: | 76.1±0.0 °C |
Index of Refraction: | 1.414 |
Molar Refractivity: | 42.6±0.3 cm3 |
#H bond acceptors: | 3 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 7 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 1.51 |
ACD/LogD (pH 5.5): | 1.64 |
ACD/BCF (pH 5.5): | 10.41 |
ACD/KOC (pH 5.5): | 186.17 |
ACD/LogD (pH 7.4): | 1.64 |
ACD/BCF (pH 7.4): | 10.41 |
ACD/KOC (pH 7.4): | 186.17 |
Polar Surface Area: | 36 Å2 |
Polarizability: | 16.9±0.5 10-24cm3 |
Surface Tension: | 28.8±3.0 dyne/cm |
Molar Volume: | 170.4±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) = 1.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 191.62 (Adapted Stein & Brown method) Melting Pt (deg C): -15.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.537 (Mean VP of Antoine & Grain methods) MP (exp database): -63 deg C BP (exp database): 192 deg C VP (exp database): 3.75E-01 mm Hg at 20 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3103 log Kow used: 1.57 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 9000 mg/L (20 deg C) Exper. Ref: BEILSTEIN Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9476.1 mg/L Wat Sol (Exper. database match) = 9000.00 Exper. Ref: BEILSTEIN ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.38E-006 atm-m3/mole Group Method: 6.74E-007 atm-m3/mole Exper Database: 5.27E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.648E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.57 (KowWin est) Log Kaw used: -3.667 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.237 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6065 Biowin2 (Non-Linear Model) : 0.9619 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2750 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1049 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8286 Biowin6 (MITI Non-Linear Model): 0.9188 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4038 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): 50 Pa (0.375 mm Hg) Log Koa (Koawin est ): 5.237 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6E-008 Octanol/air (Koa) model: 4.24E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.17E-006 Mackay model : 4.8E-006 Octanol/air (Koa) model: 3.39E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.2328 E-12 cm3/molecule-sec Half-Life = 0.504 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.045 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.48E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec Kb Half-Life at pH 8: 30.478 days Kb Half-Life at pH 7: 304.777 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.510 (BCF = 3.239) log Kow used: 1.57 (estimated) Volatilization from Water: Henry LC: 5.27E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 141.9 hours (5.913 days) Half-Life from Model Lake : 1654 hours (68.93 days) Removal In Wastewater Treatment: Total removal: 2.29 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 percent Total to Air: 0.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.06 12.1 1000 Water 35.8 208 1000 Soil 62.1 416 1000 Sediment 0.0822 1.87e+003 0 Persistence Time: 252 hr
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