1,4-Dichloropentane C5H10Cl2 structure – Flashcards
Flashcard maker : Brooke Sharp
Contents
| Molecular Formula | C5H10Cl2 |
| Average mass | 141.039 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 162.0±0.0 °C at 760 mmHg |
| Flash Point | 44.8±14.6 °C |
| Molar Refractivity | 34.9±0.3 cm3 |
| Polarizability | 13.8±0.5 10-24cm3 |
| Surface Tension | 26.8±3.0 dyne/cm |
| Molar Volume | 134.2±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 162.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 2.9±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 38.2±3.0 kJ/mol |
| Flash Point: | 44.8±14.6 °C |
| Index of Refraction: | 1.433 |
| Molar Refractivity: | 34.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.59 |
| ACD/LogD (pH 5.5): | 2.77 |
| ACD/BCF (pH 5.5): | 74.90 |
| ACD/KOC (pH 5.5): | 764.50 |
| ACD/LogD (pH 7.4): | 2.77 |
| ACD/BCF (pH 7.4): | 74.90 |
| ACD/KOC (pH 7.4): | 764.50 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 13.8±0.5 10-24cm3 |
| Surface Tension: | 26.8±3.0 dyne/cm |
| Molar Volume: | 134.2±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) = 3.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 147.32 (Adapted Stein & Brown method) Melting Pt (deg C): -54.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.29 (Mean VP of Antoine & Grain methods) BP (exp database): 162 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 144.2 log Kow used: 3.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 230.84 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-002 atm-m3/mole Group Method: 6.29E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.947E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.23 (KowWin est) Log Kaw used: 0.065 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.165 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4576 Biowin2 (Non-Linear Model) : 0.0630 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5411 (weeks-months) Biowin4 (Primary Survey Model) : 3.4430 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3927 Biowin6 (MITI Non-Linear Model): 0.1657 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6393 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): 277 Pa (2.08 mm Hg) Log Koa (Koawin est ): 3.165 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.08E-008 Octanol/air (Koa) model: 3.59E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.91E-007 Mackay model : 8.65E-007 Octanol/air (Koa) model: 2.87E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.2194 E-12 cm3/molecule-sec Half-Life = 4.819 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 57.831 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.28E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 230.3 Log Koc: 2.362 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.496E-012 L/mol-sec Kb Half-Life at pH 8: 2.313E+009 years Kb Half-Life at pH 7: 2.313E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.788 (BCF = 61.4) log Kow used: 3.23 (estimated) Volatilization from Water: Henry LC: 0.000629 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.317 hours Half-Life from Model Lake : 124.9 hours (5.203 days) Removal In Wastewater Treatment: Total removal: 27.24 percent Total biodegradation: 0.12 percent Total sludge adsorption: 7.19 percent Total to Air: 19.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.01 116 1000 Water 13.1 900 1000 Soil 81.4 1.8e+003 1000 Sediment 0.504 8.1e+003 0 Persistence Time: 742 hr
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