2-Chloro-2-methylhexane C7H15Cl structure – Flashcards
Flashcard maker : Karlie Mack
Contents
| Molecular Formula | C7H15Cl |
| Average mass | 134.647 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 140.0±8.0 °C at 760 mmHg |
| Flash Point | 33.5±16.5 °C |
| Molar Refractivity | 39.3±0.3 cm3 |
| Polarizability | 15.6±0.5 10-24cm3 |
| Surface Tension | 24.0±3.0 dyne/cm |
| Molar Volume | 155.5±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- 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: | 140.0±8.0 °C at 760 mmHg |
| Vapour Pressure: | 7.8±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 36.2±3.0 kJ/mol |
| Flash Point: | 33.5±16.5 °C |
| Index of Refraction: | 1.419 |
| Molar Refractivity: | 39.3±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.79 |
| ACD/LogD (pH 5.5): | 3.31 |
| ACD/BCF (pH 5.5): | 192.49 |
| ACD/KOC (pH 5.5): | 1502.40 |
| ACD/LogD (pH 7.4): | 3.31 |
| ACD/BCF (pH 7.4): | 192.49 |
| ACD/KOC (pH 7.4): | 1502.40 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 15.6±0.5 10-24cm3 |
| Surface Tension: | 24.0±3.0 dyne/cm |
| Molar Volume: | 155.5±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) = 3.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 110.24 (Adapted Stein & Brown method) Melting Pt (deg C): -60.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 24 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 39.41 log Kow used: 3.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 86.897 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.49E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.079E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.92 (KowWin est) Log Kaw used: 0.264 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.656 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4966 Biowin2 (Non-Linear Model) : 0.3462 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8147 (weeks ) Biowin4 (Primary Survey Model) : 3.6685 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5297 Biowin6 (MITI Non-Linear Model): 0.4366 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0087 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): 3.01E+003 Pa (22.6 mm Hg) Log Koa (Koawin est ): 3.656 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.96E-010 Octanol/air (Koa) model: 1.11E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.6E-008 Mackay model : 7.96E-008 Octanol/air (Koa) model: 8.89E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.1500 E-12 cm3/molecule-sec Half-Life = 2.577 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 30.928 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.78E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 328.7 Log Koc: 2.517 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.758E-015 L/mol-sec Kb Half-Life at pH 8: 7.963E+012 years Kb Half-Life at pH 7: 7.963E+013 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.320 (BCF = 208.9) log Kow used: 3.92 (estimated) Volatilization from Water: Henry LC: 0.0449 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.199 hours Half-Life from Model Lake : 110.4 hours (4.599 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.23 percent Total biodegradation: 0.07 percent Total sludge adsorption: 15.73 percent Total to Air: 79.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 16.4 61.8 1000 Water 29.8 360 1000 Soil 50.7 720 1000 Sediment 3.19 3.24e+003 0 Persistence Time: 207 hr
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