1,1,2,2-Tetrachloroethane C2H2Cl4 structure – Flashcards
Flashcard maker : Sarah Adrian
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):
| Molecular Formula | C2H2Cl4 |
| Average mass | 167.849 Da |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 142.0±8.0 °C at 760 mmHg |
| Flash Point | 42.6±15.8 °C |
| Molar Refractivity | 30.6±0.3 cm3 |
| Polarizability | 12.1±0.5 10-24cm3 |
| Surface Tension | 33.9±3.0 dyne/cm |
| Molar Volume | 107.8±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: | 1.6±0.1 g/cm3 |
| Boiling Point: | 142.0±8.0 °C at 760 mmHg |
| Vapour Pressure: | 7.1±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 37.6±0.0 kJ/mol |
| Flash Point: | 42.6±15.8 °C |
| Index of Refraction: | 1.480 |
| Molar Refractivity: | 30.6±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.17 |
| ACD/LogD (pH 5.5): | 2.51 |
| ACD/BCF (pH 5.5): | 47.84 |
| ACD/KOC (pH 5.5): | 554.66 |
| ACD/LogD (pH 7.4): | 2.51 |
| ACD/BCF (pH 7.4): | 47.84 |
| ACD/KOC (pH 7.4): | 554.66 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 12.1±0.5 10-24cm3 |
| Surface Tension: | 33.9±3.0 dyne/cm |
| Molar Volume: | 107.8±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) = 2.19 Log Kow (Exper. database match) = 2.39 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 149.90 (Adapted Stein & Brown method) Melting Pt (deg C): -48.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.72 (Mean VP of Antoine & Grain methods) MP (exp database): -43.8 deg C BP (exp database): 146.5 deg C VP (exp database): 1.33E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 572.7 log Kow used: 2.39 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2830 mg/L (25 deg C) Exper. Ref: HORVATH,AL ET AL. (1999) Water Sol (Exper. database match) = 2870 mg/L (25 deg C) Exper. Ref: STEPHEN,H & STEPHEN,T (1963) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1854.8 mg/L Wat Sol (Exper. database match) = 2830.00 Exper. Ref: HORVATH,AL ET AL. (1999) Wat Sol (Exper. database match) = 2870.00 Exper. Ref: STEPHEN,H & STEPHEN,T (1963) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.51E-003 atm-m3/mole Group Method: 5.35E-005 atm-m3/mole Exper Database: 3.67E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.820E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.39 (exp database) Log Kaw used: -1.824 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.214 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2221 Biowin2 (Non-Linear Model) : 0.0011 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1355 (months ) Biowin4 (Primary Survey Model) : 3.2031 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1158 Biowin6 (MITI Non-Linear Model): 0.0062 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4458 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): 1.77E+003 Pa (13.3 mm Hg) Log Koa (Koawin est ): 4.214 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.69E-009 Octanol/air (Koa) model: 4.02E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.11E-008 Mackay model : 1.35E-007 Octanol/air (Koa) model: 3.21E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2017 E-12 cm3/molecule-sec Half-Life = 53.030 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.82E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 106.8 Log Koc: 2.029 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.469E+000 L/mol-sec Kb Half-Life at pH 8: 5.462 days Kb Half-Life at pH 7: 54.621 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.140 (BCF = 13.81) log Kow used: 2.39 (expkow database) Volatilization from Water: Henry LC: 0.000367 atm-m3/mole (Henry experimental database) Half-Life from Model River: 3.389 hours Half-Life from Model Lake : 145.6 hours (6.067 days) Removal In Wastewater Treatment: Total removal: 16.68 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.44 percent Total to Air: 14.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.9 1.03e+003 1000 Water 22.5 1.44e+003 1000 Soil 65.4 2.88e+003 1000 Sediment 0.158 1.3e+004 0 Persistence Time: 568 hr
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