1,2-Dichloropropane C3H6Cl2 structure – Flashcards
Flashcard maker : Larry Charles
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:
- 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 | C3H6Cl2 |
| Average mass | 112.986 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 94.5±8.0 °C at 760 mmHg |
| Flash Point | 4.4±0.0 °C |
| Molar Refractivity | 25.6±0.3 cm3 |
| Polarizability | 10.1±0.5 10-24cm3 |
| Surface Tension | 24.8±3.0 dyne/cm |
| Molar Volume | 101.2±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: | 1.1±0.1 g/cm3 |
| Boiling Point: | 94.5±8.0 °C at 760 mmHg |
| Vapour Pressure: | 53.9±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 32.0±3.0 kJ/mol |
| Flash Point: | 4.4±0.0 °C |
| Index of Refraction: | 1.420 |
| Molar Refractivity: | 25.6±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.76 |
| ACD/LogD (pH 5.5): | 1.99 |
| ACD/BCF (pH 5.5): | 19.16 |
| ACD/KOC (pH 5.5): | 288.05 |
| ACD/LogD (pH 7.4): | 1.99 |
| ACD/BCF (pH 7.4): | 19.16 |
| ACD/KOC (pH 7.4): | 288.05 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 10.1±0.5 10-24cm3 |
| Surface Tension: | 24.8±3.0 dyne/cm |
| Molar Volume: | 101.2±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) = 2.25 Log Kow (Exper. database match) = 1.98 Exper. Ref: Sangster (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 101.17 (Adapted Stein & Brown method) Melting Pt (deg C): -79.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 45.4 (Mean VP of Antoine & Grain methods) MP (exp database): -100 deg C BP (exp database): 95.5 deg C VP (exp database): 5.33E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2166 log Kow used: 1.98 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2800 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2193 mg/L Wat Sol (Exper. database match) = 2800.00 Exper. Ref: HORVATH,AL (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.61E-002 atm-m3/mole Group Method: 3.15E-004 atm-m3/mole Exper Database: 2.82E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.116E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.98 (exp database) Log Kaw used: -0.938 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.918 Log Koa (experimental database): 2.960 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4710 Biowin2 (Non-Linear Model) : 0.0910 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6031 (weeks-months) Biowin4 (Primary Survey Model) : 3.4835 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3773 Biowin6 (MITI Non-Linear Model): 0.1591 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5873 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): 7.11E+003 Pa (53.3 mm Hg) Log Koa (Exp database): 2.960 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.22E-010 Octanol/air (Koa) model: 2.24E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.52E-008 Mackay model : 3.38E-008 Octanol/air (Koa) model: 1.79E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4421 E-12 cm3/molecule-sec Half-Life = 24.192 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.45E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.7 Log Koc: 1.831 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.803E-007 L/mol-sec Kb Half-Life at pH 8: 5.775E+004 years Kb Half-Life at pH 7: 5.775E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.825 (BCF = 6.677) log Kow used: 1.98 (expkow database) Volatilization from Water: Henry LC: 0.00282 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.305 hours Half-Life from Model Lake : 103.4 hours (4.307 days) Removal In Wastewater Treatment: Total removal: 53.67 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.26 percent Total to Air: 52.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 38.6 581 1000 Water 43.5 900 1000 Soil 17.8 1.8e+003 1000 Sediment 0.164 8.1e+003 0 Persistence Time: 194 hr
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