1,1-Dichloropropane C3H6Cl2 structure – Flashcards
Flashcard maker : Keisha White
| Molecular Formula | C3H6Cl2 |
| Average mass | 112.986 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 85.2±8.0 °C at 760 mmHg |
| Flash Point | 7.2±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
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 85.2±8.0 °C at 760 mmHg |
| Vapour Pressure: | 78.3±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 31.2±3.0 kJ/mol |
| Flash Point: | 7.2±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: | 2.07 |
| ACD/LogD (pH 5.5): | 1.98 |
| ACD/BCF (pH 5.5): | 18.65 |
| ACD/KOC (pH 5.5): | 282.61 |
| ACD/LogD (pH 7.4): | 1.98 |
| ACD/BCF (pH 7.4): | 18.65 |
| ACD/KOC (pH 7.4): | 282.61 |
| 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 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 87.94 (Adapted Stein & Brown method) Melting Pt (deg C): -83.53 (Mean or Weighted MP) VP(mm Hg,25 deg C): 62.1 (Mean VP of Antoine & Grain methods) MP (exp database): 8 at 25 deg C : 2.442E-011 L/mol-sec Kb Half-Life at pH 8: 8.993E+008 years Kb Half-Life at pH 7: 8.993E+009 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.032 (BCF = 10.76) log Kow used: 2.25 (estimated) Volatilization from Water: Henry LC: 0.00298 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.294 hours Half-Life from Model Lake : 103.2 hours (4.302 days) Removal In Wastewater Treatment: Total removal: 55.06 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.49 percent Total to Air: 53.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 33.1 303 1000 Water 41 900 1000 Soil 25.6 1.8e+003 1000 Sediment 0.222 8.1e+003 0 Persistence Time: 204 hr
Click to predict properties on the Chemicalize site
