Sebacic acid
O=C(O)CCCCCCCCC(=O)O CopyCopied
InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) CopyCopied
CXMXRPHRNRROMY-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
Acide sébacique
decanedioic acid
sebacic acid [ACD/IUPAC Name]
Sebacinsäure
Dicarboxylic acid C10
Ipomic acid
Seracic acid
[111-20-6]
1, 10-Decanedioic acid
1,10-decanedioic acid
1,8-dicarboxyoctane
1,8-Octanedicarboxylic acid
111-20-6 [RN]
1210591 [Beilstein]
14047-57-5 [RN]
203-845-5 [EINECS]
26776-29-4 [RN]
32734-00-2 [RN]
4-02-00-02078
4-02-00-02078 (Beilstein Handbook Reference) [Beilstein]
4476-04-4 [RN]
4OX
5505-62-4 [RN]
72162-23-3 [RN]
Acide sebacique [French]
CORFREE M1
Decanedicarboxylic acid
EINECS 203-845-5
N-DECANEDIOIC ACID
Octane-1,8-dicarboxylic acid
sebacicacid
Sebacinsaeure
Sebacinsaure [German]
283258_ALDRICH [DBID]
422088_ALDRICH [DBID]
84809_FLUKA [DBID]
84810_FLUKA [DBID]
AI3-09127 [DBID]
AIDS002604 [DBID]
AIDS-002604 [DBID]
BRN 1210591 [DBID]
C08277 [DBID]
CCRIS 2290 [DBID]
CHEBI:9071 [DBID]
LMFA01170006 [DBID]
NCI60_001628 [DBID]
NCIOpen2_008624 [DBID]
NSC 19492 [DBID]
NSC19492 [DBID]
NSC76960 [DBID]
NSC97405 [DBID]
S1752_ALDRICH [DBID]
USAF HC-1 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 360.05 (Adapted Stein & Brown method) Melting Pt (deg C): 127.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.64E-006 (Modified Grain method) MP (exp database): 130.8 deg C BP (exp database): 294.5 @ 100 mm Hg deg C VP (exp database): 5.55E-08 mm Hg at 25 deg C Subcooled liquid VP: 6.18E-007 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): 1420 log Kow used: 2.19 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1000 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 416.13 mg/L Wat Sol (Exper. database match) = 1000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.96E-011 atm-m3/mole Group Method: 3.22E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.244E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.19 (KowWin est) Log Kaw used: -8.917 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.107 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7966 Biowin2 (Non-Linear Model) : 0.8058 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4814 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3271 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8681 Biowin6 (MITI Non-Linear Model): 0.9162 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.4175 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.24E-005 Pa (6.18E-007 mm Hg) Log Koa (Koawin est ): 11.107 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0364 Octanol/air (Koa) model: 0.0314 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.568 Mackay model : 0.744 Octanol/air (Koa) model: 0.715 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.2415 E-12 cm3/molecule-sec Half-Life = 0.951 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.418 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.656 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 248.5 Log Koc: 2.395 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: 2.19 (estimated) Volatilization from Water: Henry LC: 3.22E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.586E+008 hours (1.077E+007 days) Half-Life from Model Lake : 2.821E+009 hours (1.175E+008 days) Removal In Wastewater Treatment: Total removal: 2.46 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.37 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 9.95e-005 22.8 1000 Water 21.4 208 1000 Soil 78.5 416 1000 Sediment 0.0841 1.87e+003 0 Persistence Time: 448 hr
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