Chloroiodomethane CH2ClI structure – Flashcards
Flashcard maker : Jazzlyn Sampson
Contents
| Molecular Formula | CH2ClI |
| Average mass | 176.384 Da |
| Density | 2.3±0.1 g/cm3 |
| Boiling Point | 102.2±8.0 °C at 760 mmHg |
| Flash Point | 15.6±18.4 °C |
| Molar Refractivity | 24.5±0.3 cm3 |
| Polarizability | 9.7±0.5 10-24cm3 |
| Surface Tension | 36.0±3.0 dyne/cm |
| Molar Volume | 75.3±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: | 2.3±0.1 g/cm3 |
| Boiling Point: | 102.2±8.0 °C at 760 mmHg |
| Vapour Pressure: | 39.3±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 32.7±3.0 kJ/mol |
| Flash Point: | 15.6±18.4 °C |
| Index of Refraction: | 1.565 |
| Molar Refractivity: | 24.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.56 |
| ACD/LogD (pH 5.5): | 1.64 |
| ACD/BCF (pH 5.5): | 10.42 |
| ACD/KOC (pH 5.5): | 186.29 |
| ACD/LogD (pH 7.4): | 1.64 |
| ACD/BCF (pH 7.4): | 10.42 |
| ACD/KOC (pH 7.4): | 186.29 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 9.7±0.5 10-24cm3 |
| Surface Tension: | 36.0±3.0 dyne/cm |
| Molar Volume: | 75.3±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) = 1.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 128.69 (Adapted Stein & Brown method) Melting Pt (deg C): -61.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 25.4 (Mean VP of Antoine & Grain methods) BP (exp database): 109 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1523 log Kow used: 1.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3927.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.94E-003 atm-m3/mole Group Method: Incomplete Exper Database: 8.71E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.871E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.84 (KowWin est) Log Kaw used: -1.448 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.288 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5522 Biowin2 (Non-Linear Model) : 0.2061 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6362 (weeks-months) Biowin4 (Primary Survey Model) : 3.4926 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2379 Biowin6 (MITI Non-Linear Model): 0.0586 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8474 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): 3.19E+003 Pa (23.9 mm Hg) Log Koa (Koawin est ): 3.288 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.41E-010 Octanol/air (Koa) model: 4.76E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.4E-008 Mackay model : 7.53E-008 Octanol/air (Koa) model: 3.81E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1881 E-12 cm3/molecule-sec Half-Life = 56.861 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.47E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.476E-008 L/mol-sec Kb Half-Life at pH 8: 8.871E+005 years Kb Half-Life at pH 7: 8.871E+006 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.721 (BCF = 5.255) log Kow used: 1.84 (estimated) Volatilization from Water: Henry LC: 0.000871 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.248 hours Half-Life from Model Lake : 135.9 hours (5.662 days) Removal In Wastewater Treatment: Total removal: 28.38 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.59 percent Total to Air: 26.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 30.2 1.36e+003 1000 Water 38.6 900 1000 Soil 31.1 1.8e+003 1000 Sediment 0.126 8.1e+003 0 Persistence Time: 252 hr
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