Isopropyl chloride C3H7Cl structure – Flashcards
Flashcard maker : Daniel Jimmerson
Contents
| Molecular Formula | C3H7Cl |
| Average mass | 78.541 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 37.3±8.0 °C at 760 mmHg |
| Flash Point | -35.0±0.0 °C |
| Molar Refractivity | 20.8±0.3 cm3 |
| Polarizability | 8.2±0.5 10-24cm3 |
| Surface Tension | 18.9±3.0 dyne/cm |
| Molar Volume | 89.8±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Predicted 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: | 37.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 488.8±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 27.0±3.0 kJ/mol |
| Flash Point: | -35.0±0.0 °C |
| Index of Refraction: | 1.379 |
| Molar Refractivity: | 20.8±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.85 |
| ACD/LogD (pH 5.5): | 2.01 |
| ACD/BCF (pH 5.5): | 19.88 |
| ACD/KOC (pH 5.5): | 295.78 |
| ACD/LogD (pH 7.4): | 2.01 |
| ACD/BCF (pH 7.4): | 19.88 |
| ACD/KOC (pH 7.4): | 295.78 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 8.2±0.5 10-24cm3 |
| Surface Tension: | 18.9±3.0 dyne/cm |
| Molar Volume: | 89.8±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) = 2.00 Log Kow (Exper. database match) = 1.90 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 33.69 (Adapted Stein & Brown method) Melting Pt (deg C): -114.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 509 (Mean VP of Antoine & Grain methods) MP (exp database): -117.2 deg C BP (exp database): 35.7 deg C VP (exp database): 5.15E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3138 log Kow used: 1.90 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 3100 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4853.5 mg/L Wat Sol (Exper. database match) = 3100.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.45E-002 atm-m3/mole Group Method: 1.47E-002 atm-m3/mole Exper Database: 1.75E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.676E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.90 (exp database) Log Kaw used: -0.145 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.045 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5988 Biowin2 (Non-Linear Model) : 0.5101 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8524 (weeks ) Biowin4 (Primary Survey Model) : 3.6338 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4297 Biowin6 (MITI Non-Linear Model): 0.3913 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4964 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.87E+004 Pa (515 mm Hg) Log Koa (Koawin est ): 2.045 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.37E-011 Octanol/air (Koa) model: 2.72E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.58E-009 Mackay model : 3.5E-009 Octanol/air (Koa) model: 2.18E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8351 E-12 cm3/molecule-sec Half-Life = 12.808 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.54E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.496E-012 L/mol-sec Kb Half-Life at pH 8: 2.313E+009 years Kb Half-Life at pH 7: 2.313E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.763 (BCF = 5.794) log Kow used: 1.90 (expkow database) Volatilization from Water: Henry LC: 0.0175 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.934 hours (56.04 min) Half-Life from Model Lake : 84.5 hours (3.521 days) Removal In Wastewater Treatment: Total removal: 87.25 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.65 percent Total to Air: 86.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 48.9 279 1000 Water 46.7 360 1000 Soil 4.23 720 1000 Sediment 0.149 3.24e+003 0 Persistence Time: 133 hr
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