Try beta.chemspider
Methylcarbamodithioic acid
CNC(=S)S
InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)
HYVVJDQGXFXBRZ-UHFFFAOYSA-N
CSID:2273120, http://www.chemspider.com/Chemical-Structure.2273120.html (accessed 07:30, Apr 25, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 179.83 (Adapted Stein & Brown method) Melting Pt (deg C): -0.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.974 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.404e+005 log Kow used: 0.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.77E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.119E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.48 (KowWin est) Log Kaw used: -2.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.620 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6965 Biowin2 (Non-Linear Model) : 0.8156 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9623 (weeks ) Biowin4 (Primary Survey Model) : 3.6931 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3937 Biowin6 (MITI Non-Linear Model): 0.3660 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 118 Pa (0.885 mm Hg) Log Koa (Koawin est ): 2.620 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.54E-008 Octanol/air (Koa) model: 1.02E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.18E-007 Mackay model : 2.03E-006 Octanol/air (Koa) model: 8.19E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 96.7648 E-12 cm3/molecule-sec Half-Life = 0.111 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.326 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.48E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.038 Log Koc: 0.606 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: 0.48 (estimated) Volatilization from Water: Henry LC: 0.000177 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.481 hours Half-Life from Model Lake : 135.7 hours (5.654 days) Removal In Wastewater Treatment: Total removal: 9.70 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.64 percent Total to Air: 7.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.26 2.65 1000 Water 54 360 1000 Soil 44.6 720 1000 Sediment 0.102 3.24e+003 0 Persistence Time: 185 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight