monochloroethane C2H5Cl structure – Flashcards
Flashcard maker : Daniel Hardy
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Solubility:
- Appearance:
- Stability:
- 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 | C2H5Cl |
| Average mass | 64.514 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 12.7±3.0 °C at 760 mmHg |
| Flash Point | -56.7±2.8 °C |
| Molar Refractivity | 16.2±0.3 cm3 |
| Polarizability | 6.4±0.5 10-24cm3 |
| Surface Tension | 18.0±3.0 dyne/cm |
| Molar Volume | 72.9±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: | 12.7±3.0 °C at 760 mmHg |
| Vapour Pressure: | 1169.9±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 25.0±3.0 kJ/mol |
| Flash Point: | -56.7±2.8 °C |
| Index of Refraction: | 1.362 |
| Molar Refractivity: | 16.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.50 |
| ACD/LogD (pH 5.5): | 1.60 |
| ACD/BCF (pH 5.5): | 9.64 |
| ACD/KOC (pH 5.5): | 176.22 |
| ACD/LogD (pH 7.4): | 1.60 |
| ACD/BCF (pH 7.4): | 9.64 |
| ACD/KOC (pH 7.4): | 176.22 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 6.4±0.5 10-24cm3 |
| Surface Tension: | 18.0±3.0 dyne/cm |
| Molar Volume: | 72.9±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) = 1.58 Log Kow (Exper. database match) = 1.43 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 37.61 (Adapted Stein & Brown method) Melting Pt (deg C): -111.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.21E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -138.7 deg C BP (exp database): 12.3 deg C VP (exp database): 1.01E+03 mm Hg at 20 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8218 log Kow used: 1.43 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 6710 mg/L (25 deg C) Exper. Ref: HORVATH,AL ET AL. (1999) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8192 mg/L Wat Sol (Exper. database match) = 6710.00 Exper. Ref: HORVATH,AL ET AL. (1999) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.09E-002 atm-m3/mole Group Method: 9.09E-003 atm-m3/mole Exper Database: 1.11E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.851E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.43 (exp database) Log Kaw used: -0.343 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.773 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6054 Biowin2 (Non-Linear Model) : 0.5597 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8834 (weeks ) Biowin4 (Primary Survey Model) : 3.6540 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5711 Biowin6 (MITI Non-Linear Model): 0.6161 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7678 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): 1.35E+005 Pa (1.01E+003 mm Hg) Log Koa (Koawin est ): 1.773 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.23E-011 Octanol/air (Koa) model: 1.46E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.05E-010 Mackay model : 1.78E-009 Octanol/air (Koa) model: 1.16E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4039 E-12 cm3/molecule-sec Half-Life = 26.483 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.29E-009 (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 : 1.170E-011 L/mol-sec Kb Half-Life at pH 8: 1.877E+009 years Kb Half-Life at pH 7: 1.877E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.401 (BCF = 2.518) log Kow used: 1.43 (expkow database) Volatilization from Water: Henry LC: 0.0111 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.862 hours (51.72 min) Half-Life from Model Lake : 76.76 hours (3.198 days) Removal In Wastewater Treatment: Total removal: 81.34 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.60 percent Total to Air: 80.70 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 52 624 1000 Water 44.5 360 1000 Soil 3.38 720 1000 Sediment 0.102 3.24e+003 0 Persistence Time: 141 hr
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