Dichlorodiphenyldichloroethane C14H10Cl4 structure – Flashcards
Flashcard maker : Keisha White
Contents
| Molecular Formula | C14H10Cl4 |
| Average mass | 320.041 Da |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 405.7±40.0 °C at 760 mmHg |
| Flash Point | 199.3±24.7 °C |
| Molar Refractivity | 79.7±0.3 cm3 |
| Polarizability | 31.6±0.5 10-24cm3 |
| Surface Tension | 44.7±3.0 dyne/cm |
| Molar Volume | 233.1±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.4±0.1 g/cm3 |
| Boiling Point: | 405.7±40.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.9 mmHg at 25°C |
| Enthalpy of Vaporization: | 63.2±3.0 kJ/mol |
| Flash Point: | 199.3±24.7 °C |
| Index of Refraction: | 1.599 |
| Molar Refractivity: | 79.7±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.39 |
| ACD/LogD (pH 5.5): | 5.84 |
| ACD/BCF (pH 5.5): | 16128.64 |
| ACD/KOC (pH 5.5): | 35759.03 |
| ACD/LogD (pH 7.4): | 5.84 |
| ACD/BCF (pH 7.4): | 16128.64 |
| ACD/KOC (pH 7.4): | 35759.03 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 31.6±0.5 10-24cm3 |
| Surface Tension: | 44.7±3.0 dyne/cm |
| Molar Volume: | 233.1±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) = 5.87 Log Kow (Exper. database match) = 6.02 Exper. Ref: Sangster (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 366.75 (Adapted Stein & Brown method) Melting Pt (deg C): 114.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.95E-005 (Modified Grain method) MP (exp database): 109.5 deg C BP (exp database): 350 deg C VP (exp database): 1.35E-06 mm Hg at 25 deg C Subcooled liquid VP: 9.25E-006 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.06764 log Kow used: 6.02 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.09 mg/L (25 deg C) Exper. Ref: BIGGAR,JW & RIGGS,RI (1974) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.019983 mg/L Wat Sol (Exper. database match) = 0.09 Exper. Ref: BIGGAR,JW & RIGGS,RI (1974) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.34E-005 atm-m3/mole Group Method: Incomplete Exper Database: 6.60E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.214E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.02 (exp database) Log Kaw used: -3.569 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.589 Log Koa (experimental database): 10.100 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0622 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6575 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7856 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2202 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0084 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): 0.00123 Pa (9.25E-006 mm Hg) Log Koa (Exp database): 10.100 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00243 Octanol/air (Koa) model: 0.00309 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0808 Mackay model : 0.163 Octanol/air (Koa) model: 0.198 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.3442 E-12 cm3/molecule-sec Half-Life = 2.462 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.546 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.122 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.525E+005 Log Koc: 5.183 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.935 (BCF = 8618) log Kow used: 6.02 (expkow database) Volatilization from Water: Henry LC: 6.6E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 160.5 hours (6.689 days) Half-Life from Model Lake : 1901 hours (79.22 days) Removal In Wastewater Treatment: Total removal: 92.24 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.46 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.165 59.1 1000 Water 1.56 4.32e+003 1000 Soil 47.2 8.64e+003 1000 Sediment 51 3.89e+004 0 Persistence Time: 9e+003 hr
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