Ethoxycyclopentane C7H14O structure – Flashcards
Flashcard maker : Sean Hill
![C7H14O structure](/wp-content/uploads/2017/10/15512009.png)
Molecular Formula | C7H14O |
Average mass | 114.186 Da |
Density | 0.9±0.1 g/cm3 |
Boiling Point | 128.9±8.0 °C at 760 mmHg |
Flash Point | 21.5±14.2 °C |
Molar Refractivity | 34.1±0.4 cm3 |
Polarizability | 13.5±0.5 10-24cm3 |
Surface Tension | 26.0±5.0 dyne/cm |
Molar Volume | 132.4±5.0 cm3 |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 0.9±0.1 g/cm3 |
Boiling Point: | 128.9±8.0 °C at 760 mmHg |
Vapour Pressure: | 12.7±0.2 mmHg at 25°C |
Enthalpy of Vaporization: | 35.1±3.0 kJ/mol |
Flash Point: | 21.5±14.2 °C |
Index of Refraction: | 1.429 |
Molar Refractivity: | 34.1±0.4 cm3 |
#H bond acceptors: | 1 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 2 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 1.95 |
ACD/LogD (pH 5.5): | 1.76 |
ACD/BCF (pH 5.5): | 12.93 |
ACD/KOC (pH 5.5): | 217.44 |
ACD/LogD (pH 7.4): | 1.76 |
ACD/BCF (pH 7.4): | 12.93 |
ACD/KOC (pH 7.4): | 217.44 |
Polar Surface Area: | 9 Å2 |
Polarizability: | 13.5±0.5 10-24cm3 |
Surface Tension: | 26.0±5.0 dyne/cm |
Molar Volume: | 132.4±5.0 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) = 2.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 128.93 (Adapted Stein & Brown method) Melting Pt (deg C): -54.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 12.8 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1064 log Kow used: 2.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7435.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.57E-003 atm-m3/mole Group Method: 4.88E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.808E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.34 (KowWin est) Log Kaw used: -1.193 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.533 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3458 Biowin2 (Non-Linear Model) : 0.1148 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9382 (weeks ) Biowin4 (Primary Survey Model) : 3.6732 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5151 Biowin6 (MITI Non-Linear Model): 0.5957 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0846 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): 1.6E+003 Pa (12 mm Hg) Log Koa (Koawin est ): 3.533 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.87E-009 Octanol/air (Koa) model: 8.38E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.77E-008 Mackay model : 1.5E-007 Octanol/air (Koa) model: 6.7E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.2491 E-12 cm3/molecule-sec Half-Life = 0.503 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.040 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.09E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 28.18 Log Koc: 1.450 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 = 1.099 (BCF = 12.57) log Kow used: 2.34 (estimated) Volatilization from Water: Henry LC: 0.000488 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.372 hours Half-Life from Model Lake : 115.5 hours (4.812 days) Removal In Wastewater Treatment: Total removal: 19.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.28 percent Total to Air: 17.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.43 12.1 1000 Water 29.3 360 1000 Soil 67.1 720 1000 Sediment 0.16 3.24e+003 0 Persistence Time: 262 hr
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