Ricinine C8H8N2O2 structure
Molecular Formula | C8H8N2O2 |
Average mass | 164.161 Da |
Density | 1.2±0.1 g/cm3 |
Boiling Point | 370.9±42.0 °C at 760 mmHg |
Flash Point | 178.1±27.9 °C |
Molar Refractivity | 42.1±0.4 cm3 |
Polarizability | 16.7±0.5 10-24cm3 |
Surface Tension | 48.4±5.0 dyne/cm |
Molar Volume | 132.6±5.0 cm3 |
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.2±0.1 g/cm3 |
Boiling Point: | 370.9±42.0 °C at 760 mmHg |
Vapour Pressure: | 0.0±0.8 mmHg at 25°C |
Enthalpy of Vaporization: | 61.8±3.0 kJ/mol |
Flash Point: | 178.1±27.9 °C |
Index of Refraction: | 1.548 |
Molar Refractivity: | 42.1±0.4 cm3 |
#H bond acceptors: | 4 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 2 |
#Rule of 5 Violations: | 0 |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 334.51 (Adapted Stein & Brown method) Melting Pt (deg C): 109.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.2E-006 (Modified Grain method) MP (exp database): 201.5 deg C Subcooled liquid VP: 0.000307 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): 4195 log Kow used: -0.45 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2700 mg/L (10 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 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: Allylic/Vinyl Nitriles Vinyl/Allyl Ethers Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.16E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.163E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.45 (KowWin est) Log Kaw used: -9.676 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.226 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8392 Biowin2 (Non-Linear Model) : 0.9899 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6911 (weeks-months) Biowin4 (Primary Survey Model) : 3.7414 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4367 Biowin6 (MITI Non-Linear Model): 0.2488 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2952 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): 0.0409 Pa (0.000307 mm Hg) Log Koa (Koawin est ): 9.226 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.33E-005 Octanol/air (Koa) model: 0.000413 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00264 Mackay model : 0.00583 Octanol/air (Koa) model: 0.032 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.7440 E-12 cm3/molecule-sec Half-Life = 0.386 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.626 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.202500 E-17 cm3/molecule-sec Half-Life = 5.659 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.00423 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.500 (BCF = 3.162) log Kow used: -0.45 (estimated) Volatilization from Water: Henry LC: 5.16E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.454E+008 hours (6.057E+006 days) Half-Life from Model Lake : 1.586E+009 hours (6.608E+007 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 7.44e-005 8.66 1000 Water 46.2 900 1000 Soil 53.7 1.8e+003 1000 Sediment 0.089 8.1e+003 0 Persistence Time: 976 hr