Try beta.chemspider
You have reached the page for a ChemSpider record that has been deprecated.
This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.
4-Sulfanyl-5-nonanol
CCCC(S)C(O)CCCC
InChI=1S/C9H20OS/c1-3-5-7-8(10)9(11)6-4-2/h8-11H,3-7H2,1-2H3
CVVWJTNTWIXDOW-UHFFFAOYSA-N
Date of deprecation: 13:33, Feb 22, 2024 Reason for deprecation: Deprecate record: Testing Bad record 2
If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.
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) = 3.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 255.16 (Adapted Stein & Brown method) Melting Pt (deg C): 10.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00233 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 130.9 log Kow used: 3.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 211.29 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Thiols(mercaptans) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.22E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.130E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.09 (KowWin est) Log Kaw used: -4.424 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.514 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9308 Biowin2 (Non-Linear Model) : 0.9697 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2678 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9919 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4953 Biowin6 (MITI Non-Linear Model): 0.6050 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2902 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): 0.307 Pa (0.0023 mm Hg) Log Koa (Koawin est ): 7.514 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.78E-006 Octanol/air (Koa) model: 8.02E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000353 Mackay model : 0.000782 Octanol/air (Koa) model: 0.000641 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 72.6771 E-12 cm3/molecule-sec Half-Life = 0.147 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.766 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000568 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 75.7 Log Koc: 1.879 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 = 1.682 (BCF = 48.06) log Kow used: 3.09 (estimated) Volatilization from Water: Henry LC: 9.22E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 844.6 hours (35.19 days) Half-Life from Model Lake : 9325 hours (388.5 days) Removal In Wastewater Treatment: Total removal: 6.58 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.40 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.57 3.53 1000 Water 27.8 208 1000 Soil 71.2 416 1000 Sediment 0.407 1.87e+003 0 Persistence Time: 280 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight