Pentachloroethane C2HCl5 structure – Flashcards
Flashcard maker : Matthew Carle
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:
- 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 | C2HCl5 |
| Average mass | 202.294 Da |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 161.1±8.0 °C at 760 mmHg |
| Flash Point | 52.0±15.8 °C |
| Molar Refractivity | 35.5±0.3 cm3 |
| Polarizability | 14.1±0.5 10-24cm3 |
| Surface Tension | 38.6±3.0 dyne/cm |
| Molar Volume | 118.9±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.7±0.1 g/cm3 |
| Boiling Point: | 161.1±8.0 °C at 760 mmHg |
| Vapour Pressure: | 3.0±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 38.1±3.0 kJ/mol |
| Flash Point: | 52.0±15.8 °C |
| Index of Refraction: | 1.509 |
| Molar Refractivity: | 35.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.20 |
| ACD/LogD (pH 5.5): | 3.30 |
| ACD/BCF (pH 5.5): | 188.09 |
| ACD/KOC (pH 5.5): | 1477.73 |
| ACD/LogD (pH 7.4): | 3.30 |
| ACD/BCF (pH 7.4): | 188.09 |
| ACD/KOC (pH 7.4): | 1477.73 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 14.1±0.5 10-24cm3 |
| Surface Tension: | 38.6±3.0 dyne/cm |
| Molar Volume: | 118.9±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) = 3.11 Log Kow (Exper. database match) = 3.22 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 152.18 (Adapted Stein & Brown method) Melting Pt (deg C): -24.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.54 (Mean VP of Antoine & Grain methods) MP (exp database): -29 deg C BP (exp database): 159.8 deg C VP (exp database): 3.50E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 75.75 log Kow used: 3.22 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 480 mg/L (25 deg C) Exper. Ref: DILLING,WL (1977) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 345.97 mg/L Wat Sol (Exper. database match) = 480.00 Exper. Ref: DILLING,WL (1977) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.30E-004 atm-m3/mole Group Method: 1.81E-004 atm-m3/mole Exper Database: 1.94E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.926E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.22 (exp database) Log Kaw used: -1.101 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.321 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0896 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6741 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8994 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1327 Biowin6 (MITI Non-Linear Model): 0.0020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2627 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): 467 Pa (3.5 mm Hg) Log Koa (Koawin est ): 4.321 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.43E-009 Octanol/air (Koa) model: 5.14E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.32E-007 Mackay model : 5.14E-007 Octanol/air (Koa) model: 4.11E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0193 E-12 cm3/molecule-sec Half-Life = 553.354 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.73E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 154.4 Log Koc: 2.189 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.192E+001 L/mol-sec Kb Half-Life at pH 8: 16.149 hours Kb Half-Life at pH 7: 6.729 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.779 (BCF = 60.17) log Kow used: 3.22 (expkow database) Volatilization from Water: Henry LC: 0.00194 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.881 hours Half-Life from Model Lake : 139.8 hours (5.824 days) Removal In Wastewater Treatment: Total removal: 47.36 percent Total biodegradation: 0.09 percent Total sludge adsorption: 6.19 percent Total to Air: 41.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.7 1.33e+004 1000 Water 13.2 4.32e+003 1000 Soil 75.4 8.64e+003 1000 Sediment 0.665 3.89e+004 0 Persistence Time: 775 hr
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