(Chloromethyl)cyclopropane C4H7Cl structure – Flashcards
Flashcard maker : William Hopper
Contents
| Molecular Formula | C4H7Cl |
| Average mass | 90.551 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 87.6±9.0 °C at 760 mmHg |
| Flash Point | -1.7±0.0 °C |
| Molar Refractivity | 23.4±0.3 cm3 |
| Polarizability | 9.3±0.5 10-24cm3 |
| Surface Tension | 31.4±3.0 dyne/cm |
| Molar Volume | 85.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 87.6±9.0 °C at 760 mmHg |
| Vapour Pressure: | 71.1±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 31.4±3.0 kJ/mol |
| Flash Point: | -1.7±0.0 °C |
| Index of Refraction: | 1.458 |
| Molar Refractivity: | 23.4±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.87 |
| ACD/LogD (pH 5.5): | 2.04 |
| ACD/BCF (pH 5.5): | 20.87 |
| ACD/KOC (pH 5.5): | 306.30 |
| ACD/LogD (pH 7.4): | 2.04 |
| ACD/BCF (pH 7.4): | 20.87 |
| ACD/KOC (pH 7.4): | 306.30 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 9.3±0.5 10-24cm3 |
| Surface Tension: | 31.4±3.0 dyne/cm |
| Molar Volume: | 85.7±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) = 2.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 92.48 (Adapted Stein & Brown method) Melting Pt (deg C): -75.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 62.4 (Mean VP of Antoine & Grain methods) MP (exp database): -90.9 deg C BP (exp database): 88 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1165 log Kow used: 2.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1554.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.46E-003 atm-m3/mole Group Method: 2.50E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.382E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.37 (KowWin est) Log Kaw used: -0.461 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.831 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5930 Biowin2 (Non-Linear Model) : 0.4676 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8259 (weeks ) Biowin4 (Primary Survey Model) : 3.6165 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5451 Biowin6 (MITI Non-Linear Model): 0.5114 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6468 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): 8E+003 Pa (60 mm Hg) Log Koa (Koawin est ): 2.831 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.75E-010 Octanol/air (Koa) model: 1.66E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.35E-008 Mackay model : 3E-008 Octanol/air (Koa) model: 1.33E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.5142 E-12 cm3/molecule-sec Half-Life = 20.801 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.18E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 82.53 Log Koc: 1.917 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.128E-015 L/mol-sec Kb Half-Life at pH 8: 5.320E+012 years Kb Half-Life at pH 7: 5.320E+013 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.128 (BCF = 13.42) log Kow used: 2.37 (estimated) Volatilization from Water: Henry LC: 0.00846 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.037 hours Half-Life from Model Lake : 91.1 hours (3.796 days) Removal In Wastewater Treatment: Total removal: 77.04 percent Total biodegradation: 0.04 percent Total sludge adsorption: 1.24 percent Total to Air: 75.76 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 44.4 499 1000 Water 40.1 360 1000 Soil 15.3 720 1000 Sediment 0.228 3.24e+003 0 Persistence Time: 157 hr
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