Pirimicarb C11H18N4O2 structure – Flashcards
Flashcard maker : Kayden Hussain
Contents
Molecular Formula | C11H18N4O2 |
Average mass | 238.286 Da |
Density | 1.1±0.1 g/cm3 |
Boiling Point | 373.4±52.0 °C at 760 mmHg |
Flash Point | 179.6±30.7 °C |
Molar Refractivity | 66.1±0.3 cm3 |
Polarizability | 26.2±0.5 10-24cm3 |
Surface Tension | 45.6±3.0 dyne/cm |
Molar Volume | 207.8±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: | 373.4±52.0 °C at 760 mmHg |
Vapour Pressure: | 0.0±0.8 mmHg at 25°C |
Enthalpy of Vaporization: | 62.1±3.0 kJ/mol |
Flash Point: | 179.6±30.7 °C |
Index of Refraction: | 1.549 |
Molar Refractivity: | 66.1±0.3 cm3 |
#H bond acceptors: | 6 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 3 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 1.70 |
ACD/LogD (pH 5.5): | 1.68 |
ACD/BCF (pH 5.5): | 10.80 |
ACD/KOC (pH 5.5): | 185.02 |
ACD/LogD (pH 7.4): | 1.73 |
ACD/BCF (pH 7.4): | 12.09 |
ACD/KOC (pH 7.4): | 207.10 |
Polar Surface Area: | 59 Å2 |
Polarizability: | 26.2±0.5 10-24cm3 |
Surface Tension: | 45.6±3.0 dyne/cm |
Molar Volume: | 207.8±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) = 1.40 Log Kow (Exper. database match) = 1.70 Exper. Ref: Tomlin,C (1994) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 326.21 (Adapted Stein & Brown method) Melting Pt (deg C): 112.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000112 (Modified Grain method) MP (exp database): 90.5 deg C VP (exp database): 7.28E-06 mm Hg at 25 deg C Subcooled liquid VP: 3.24E-005 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): 969.5 log Kow used: 1.70 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 2700 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14409 mg/L Wat Sol (Exper. database match) = 2700.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.62E-009 atm-m3/mole Group Method: Incomplete Exper Database: 3.48E-09 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.622E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (exp database) Log Kaw used: -6.847 (exp database) Log Koa (KOAWIN v1.10 estimate): 8.547 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6177 Biowin2 (Non-Linear Model) : 0.3931 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2214 (months ) Biowin4 (Primary Survey Model) : 3.2725 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0405 Biowin6 (MITI Non-Linear Model): 0.0166 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3006 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): 0.00432 Pa (3.24E-005 mm Hg) Log Koa (Koawin est ): 8.547 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000694 Octanol/air (Koa) model: 8.65E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0245 Mackay model : 0.0526 Octanol/air (Koa) model: 0.00687 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 151.5235 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.847 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0386 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 33.12 Log Koc: 1.520 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.061E-005 L/mol-sec Kb Half-Life at pH 8: 717.616 years Kb Half-Life at pH 7: 7176.159 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.609 (BCF = 4.064) log Kow used: 1.70 (expkow database) Volatilization from Water: Henry LC: 3.48E-009 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.597E+005 hours (1.082E+004 days) Half-Life from Model Lake : 2.833E+006 hours (1.181E+005 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.95 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 0.0218 1.69 1000 Water 31.9 1.44e+003 1000 Soil 68 2.88e+003 1000 Sediment 0.0936 1.3e+004 0 Persistence Time: 1.38e+003 hr
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