CHLORDIMEFORM C10H13ClN2 structure – Flashcards
Flashcard maker : Amari Finch
| Molecular Formula | C10H13ClN2 |
| Average mass | 196.677 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 292.7±50.0 °C at 760 mmHg |
| Flash Point | 130.8±30.1 °C |
| Molar Refractivity | 57.1±0.5 cm3 |
| Polarizability | 22.6±0.5 10-24cm3 |
| Surface Tension | 32.2±7.0 dyne/cm |
| Molar Volume | 187.2±7.0 cm3 |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 292.7±50.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.6 mmHg at 25°C |
| Enthalpy of Vaporization: | 53.2±3.0 kJ/mol |
| Flash Point: | 130.8±30.1 °C |
| Index of Refraction: | 1.522 |
| Molar Refractivity: | 57.1±0.5 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.01 |
| ACD/LogD (pH 5.5): | 1.00 |
| ACD/BCF (pH 5.5): | 1.21 |
| ACD/KOC (pH 5.5): | 11.84 |
| ACD/LogD (pH 7.4): | 2.25 |
| ACD/BCF (pH 7.4): | 21.76 |
| ACD/KOC (pH 7.4): | 213.66 |
| Polar Surface Area: | 16 Å2 |
| Polarizability: | 22.6±0.5 10-24cm3 |
| Surface Tension: | 32.2±7.0 dyne/cm |
| Molar Volume: | 187.2±7.0 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) = 2.89 Log Kow (Exper. database match) = 2.89 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 265.33 (Adapted Stein & Brown method) Melting Pt (deg C): 40.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0098 (Modified Grain method) MP (exp database): 35 deg C BP (exp database): 156-157 @ 0.4 mm Hg deg C VP (exp database): 9.23E-04 mm Hg at 25 deg C Subcooled liquid VP: 0.00116 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): 1577 log Kow used: 2.89 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 270 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14949 mg/L Wat Sol (Exper. database match) = 270.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.94E-007 atm-m3/mole Group Method: Incomplete Exper Database: 3.45E-07 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.608E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.89 (exp database) Log Kaw used: -4.851 (exp database) Log Koa (KOAWIN v1.10 estimate): 7.741 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5262 Biowin2 (Non-Linear Model) : 0.2275 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4831 (weeks-months) Biowin4 (Primary Survey Model) : 3.3301 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1495 Biowin6 (MITI Non-Linear Model): 0.0593 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5492 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): 0.155 Pa (0.00116 mm Hg) Log Koa (Koawin est ): 7.741 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.94E-005 Octanol/air (Koa) model: 1.35E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0007 Mackay model : 0.00155 Octanol/air (Koa) model: 0.00108 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 90.6357 E-12 cm3/molecule-sec Half-Life = 0.118 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.416 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00112 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3092 Log Koc: 3.490 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 = 1.525 (BCF = 33.52) log Kow used: 2.89 (expkow database) Volatilization from Water: Henry LC: 3.45E-007 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2381 hours (99.23 days) Half-Life from Model Lake : 2.61E+004 hours (1087 days) Removal In Wastewater Treatment: Total removal: 4.88 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.74 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.126 2.83 1000 Water 19.9 900 1000 Soil 79.6 1.8e+003 1000 Sediment 0.357 8.1e+003 0 Persistence Time: 1.02e+003 hr
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