Methylcyclopropane C4H8 structure – Flashcards
Flashcard maker : Cara Robinson
| Molecular Formula | C4H8 |
| Average mass | 56.106 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 0.5±3.0 °C at 760 mmHg |
| Flash Point | -79.3±10.6 °C |
| Molar Refractivity | 18.5±0.3 cm3 |
| Polarizability | 7.4±0.5 10-24cm3 |
| Surface Tension | 22.5±3.0 dyne/cm |
| Molar Volume | 73.2±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.8±0.1 g/cm3 |
| Boiling Point: | 0.5±3.0 °C at 760 mmHg |
| Vapour Pressure: | 1779.2±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 24.0±0.8 kJ/mol |
| Flash Point: | -79.3±10.6 °C |
| Index of Refraction: | 1.420 |
| Molar Refractivity: | 18.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.18 |
| ACD/LogD (pH 5.5): | 2.25 |
| ACD/BCF (pH 5.5): | 30.18 |
| ACD/KOC (pH 5.5): | 398.89 |
| ACD/LogD (pH 7.4): | 2.25 |
| ACD/BCF (pH 7.4): | 30.18 |
| ACD/KOC (pH 7.4): | 398.89 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 7.4±0.5 10-24cm3 |
| Surface Tension: | 22.5±3.0 dyne/cm |
| Molar Volume: | 73.2±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) = 2.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 24.14 (Adapted Stein & Brown method) Melting Pt (deg C): -109.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.74E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -177.3 deg C BP (exp database): 0.7 deg C VP (exp database): 1.58E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 615.4 log Kow used: 2.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 96.715 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.45E-001 atm-m3/mole Group Method: 1.17E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.118E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.12 (KowWin est) Log Kaw used: 0.773 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.347 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7208 Biowin2 (Non-Linear Model) : 0.9013 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0752 (weeks ) Biowin4 (Primary Survey Model) : 3.7668 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5975 Biowin6 (MITI Non-Linear Model): 0.7806 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5559 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5976 BioHC Half-Life (days) : 3.9594 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.11E+005 Pa (1.58E+003 mm Hg) Log Koa (Koawin est ): 1.347 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.42E-011 Octanol/air (Koa) model: 5.46E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.14E-010 Mackay model : 1.14E-009 Octanol/air (Koa) model: 4.37E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2825 E-12 cm3/molecule-sec Half-Life = 37.862 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.27E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 42.71 Log Koc: 1.631 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 = 0.932 (BCF = 8.557) log Kow used: 2.12 (estimated) Volatilization from Water: Henry LC: 0.145 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.7674 hours (46.04 min) Half-Life from Model Lake : 71.18 hours (2.966 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.25 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.59 percent Total to Air: 97.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 54.6 909 1000 Water 44.1 360 1000 Soil 1.13 720 1000 Sediment 0.179 3.24e+003 0 Persistence Time: 139 hr
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