1-Methyl-1-propylcyclopropane C7H14 structure – Flashcards
Flashcard maker : Gracie Stone
Molecular Formula | C7H14 |
Average mass | 98.186 Da |
Density | 0.8±0.1 g/cm3 |
Boiling Point | 87.6±7.0 °C at 760 mmHg |
Flash Point | -11.1±11.7 °C |
Molar Refractivity | 32.4±0.3 cm3 |
Polarizability | 12.8±0.5 10-24cm3 |
Surface Tension | 27.4±3.0 dyne/cm |
Molar Volume | 125.7±3.0 cm3 |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 0.8±0.1 g/cm3 |
Boiling Point: | 87.6±7.0 °C at 760 mmHg |
Vapour Pressure: | 71.3±0.1 mmHg at 25°C |
Enthalpy of Vaporization: | 31.4±0.8 kJ/mol |
Flash Point: | -11.1±11.7 °C |
Index of Refraction: | 1.429 |
Molar Refractivity: | 32.4±0.3 cm3 |
#H bond acceptors: | 0 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 2 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 3.79 |
ACD/LogD (pH 5.5): | 3.28 |
ACD/BCF (pH 5.5): | 183.37 |
ACD/KOC (pH 5.5): | 1451.11 |
ACD/LogD (pH 7.4): | 3.28 |
ACD/BCF (pH 7.4): | 183.37 |
ACD/KOC (pH 7.4): | 1451.11 |
Polar Surface Area: | 0 Å2 |
Polarizability: | 12.8±0.5 10-24cm3 |
Surface Tension: | 27.4±3.0 dyne/cm |
Molar Volume: | 125.7±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) = 3.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 87.46 (Adapted Stein & Brown method) Melting Pt (deg C): -62.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 71.8 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 31.61 log Kow used: 3.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.0868 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.39E-001 atm-m3/mole Group Method: 3.30E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.935E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.56 (KowWin est) Log Kaw used: 1.142 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.418 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5169 Biowin2 (Non-Linear Model) : 0.4728 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7701 (weeks ) Biowin4 (Primary Survey Model) : 3.5526 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6268 Biowin6 (MITI Non-Linear Model): 0.8117 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1547 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2809 BioHC Half-Life (days) : 19.0921 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 9.21E+003 Pa (69.1 mm Hg) Log Koa (Koawin est ): 2.418 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.26E-010 Octanol/air (Koa) model: 6.43E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.18E-008 Mackay model : 2.6E-008 Octanol/air (Koa) model: 5.14E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.9530 E-12 cm3/molecule-sec Half-Life = 3.622 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 43.466 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.89E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 229.7 Log Koc: 2.361 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 = 2.038 (BCF = 109.1) log Kow used: 3.56 (estimated) Volatilization from Water: Henry LC: 0.339 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.013 hours Half-Life from Model Lake : 94.14 hours (3.922 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.28 percent Total biodegradation: 0.04 percent Total sludge adsorption: 7.79 percent Total to Air: 91.46 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 38 86.9 1000 Water 51.7 360 1000 Soil 7.69 720 1000 Sediment 2.59 3.24e+003 0 Persistence Time: 119 hr
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