Etofenprox C25H28O3 structure – Flashcards
Flashcard maker : Deloris Connelly
Contents
| Molecular Formula | C25H28O3 |
| Average mass | 376.488 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 481.6±40.0 °C at 760 mmHg |
| Flash Point | 165.1±24.6 °C |
| Molar Refractivity | 113.3±0.3 cm3 |
| Polarizability | 44.9±0.5 10-24cm3 |
| Surface Tension | 38.6±3.0 dyne/cm |
| Molar Volume | 350.8±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: | 481.6±40.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±1.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 71.8±3.0 kJ/mol |
| Flash Point: | 165.1±24.6 °C |
| Index of Refraction: | 1.559 |
| Molar Refractivity: | 113.3±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 9 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 7.34 |
| ACD/LogD (pH 5.5): | 6.60 |
| ACD/BCF (pH 5.5): | 61034.43 |
| ACD/KOC (pH 5.5): | 92703.44 |
| ACD/LogD (pH 7.4): | 6.60 |
| ACD/BCF (pH 7.4): | 61034.43 |
| ACD/KOC (pH 7.4): | 92703.44 |
| Polar Surface Area: | 28 Å2 |
| Polarizability: | 44.9±0.5 10-24cm3 |
| Surface Tension: | 38.6±3.0 dyne/cm |
| Molar Volume: | 350.8±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) = 7.47 Log Kow (Exper. database match) = 7.05 Exper. Ref: Tomlin,C (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 460.59 (Adapted Stein & Brown method) Melting Pt (deg C): 178.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.09E-007 (Modified Grain method) MP (exp database): 37 deg C BP (exp database): 200 @ 0.18 mm Hg deg C Subcooled liquid VP: 2.68E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.004075 log Kow used: 7.05 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.001 mg/L (25 deg C) Exper. Ref: TOMLIN,C (1997); < 1ug/L Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0024968 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: TOMLIN,C (1997); < 1ug/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.26E-008 atm-m3/mole Group Method: 1.38E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.541E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.05 (exp database) Log Kaw used: -6.034 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.084 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4289 Biowin2 (Non-Linear Model) : 0.2325 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0521 (months ) Biowin4 (Primary Survey Model) : 3.3005 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2028 Biowin6 (MITI Non-Linear Model): 0.0451 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6158 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): 3.57E-005 Pa (2.68E-007 mm Hg) Log Koa (Koawin est ): 13.084 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.084 Octanol/air (Koa) model: 2.98 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.752 Mackay model : 0.87 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 62.1576 E-12 cm3/molecule-sec Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.065 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.811 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.93E+005 Log Koc: 5.286 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 = 4.741 (BCF = 5.514e+004) log Kow used: 7.05 (expkow database) Volatilization from Water: Henry LC: 1.38E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.232E+004 hours (3430 days) Half-Life from Model Lake : 8.982E+005 hours (3.743E+004 days) Removal In Wastewater Treatment: Total removal: 93.87 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.09 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0184 4.13 1000 Water 1.4 1.44e+003 1000 Soil 37.3 2.88e+003 1000 Sediment 61.3 1.3e+004 0 Persistence Time: 5.31e+003 hr
Click to predict properties on the Chemicalize site
