Chloromethane CH3Cl structure – Flashcards
Flashcard maker : Darren Farr
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
- Retention Index (Linear):
| Molecular Formula | CH3Cl |
| Average mass | 50.487 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | -24.5±3.0 °C at 760 mmHg |
| Flash Point | -86.4±2.8 °C |
| Molar Refractivity | 11.5±0.3 cm3 |
| Polarizability | 4.6±0.5 10-24cm3 |
| Surface Tension | 14.6±3.0 dyne/cm |
| Molar Volume | 56.4±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: | -24.5±3.0 °C at 760 mmHg |
| Vapour Pressure: | 4074.1±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 21.9±3.0 kJ/mol |
| Flash Point: | -86.4±2.8 °C |
| Index of Refraction: | 1.331 |
| Molar Refractivity: | 11.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.97 |
| ACD/LogD (pH 5.5): | 1.19 |
| ACD/BCF (pH 5.5): | 4.74 |
| ACD/KOC (pH 5.5): | 106.07 |
| ACD/LogD (pH 7.4): | 1.19 |
| ACD/BCF (pH 7.4): | 4.74 |
| ACD/KOC (pH 7.4): | 106.07 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 4.6±0.5 10-24cm3 |
| Surface Tension: | 14.6±3.0 dyne/cm |
| Molar Volume: | 56.4±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) = 1.09 Log Kow (Exper. database match) = 0.91 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 10.88 (Adapted Stein & Brown method) Melting Pt (deg C): -124.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.07E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -97.7 deg C BP (exp database): -24 deg C VP (exp database): 4.30E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.262e+004 log Kow used: 0.91 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 5320 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 22077 mg/L Wat Sol (Exper. database match) = 5320.00 Exper. Ref: HORVATH,AL (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.20E-003 atm-m3/mole Group Method: 8.88E-003 atm-m3/mole Exper Database: 8.82E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.232E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.91 (exp database) Log Kaw used: -0.443 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.353 Log Koa (experimental database): 1.390 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6121 Biowin2 (Non-Linear Model) : 0.6080 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9144 (weeks ) Biowin4 (Primary Survey Model) : 3.6743 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5634 Biowin6 (MITI Non-Linear Model): 0.6103 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7419 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): 5.73E+005 Pa (4.3E+003 mm Hg) Log Koa (Exp database): 1.390 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.23E-012 Octanol/air (Koa) model: 6.03E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.89E-010 Mackay model : 4.19E-010 Octanol/air (Koa) model: 4.82E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0517 E-12 cm3/molecule-sec Half-Life = 206.966 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.04E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.780E-006 L/mol-sec Kb Half-Life at pH 8: 2245.649 years Kb Half-Life at pH 7: 2.246E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.91 (expkow database) Volatilization from Water: Henry LC: 0.00882 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.7722 hours (46.33 min) Half-Life from Model Lake : 68.01 hours (2.834 days) Removal In Wastewater Treatment: Total removal: 77.66 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.61 percent Total to Air: 77.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 54.5 5.89e+003 1000 Water 42.6 360 1000 Soil 2.8 720 1000 Sediment 0.084 3.24e+003 0 Persistence Time: 147 hr
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