Adipic acid
C(CCC(=O)O)CC(=O)O CopyCopied
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) CopyCopied
WNLRTRBMVRJNCN-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
4-02-00-01956 (Beilstein Handbook Reference) [Beilstein]
acide adipique [French]
Adipic acid [Wiki] [ACD/IUPAC Name]
Adipinsäure [German]
Asapic
hexanedioic acid
Inipol DS
kwas adypinowy [Polish]
kyselina adipová [Czech]
Adi-pure
[124-04-9]
1,4-butanedicarboxylic acid
1,4-butanedicarboxylic acid; 1,6-hexanedioic acid; Adipinsaeure; adipic acid; adipinic acid
1,6-HEXANEDIOIC ACID
1,6-HEXANE-DIOIC ACID
1209788 [Beilstein]
124-04-9 [RN]
204-673-3 [EINECS]
22322-28-7 [RN]
23311-84-4 [RN]
25666-61-9 [RN]
3385-41-9 [RN]
7486-38-6 [RN]
7486-39-7 [RN]
Acifloctin
Acinetten
Adilactetten
adipicacid
adipinic acid
Butane-1,4-dicarboxylic acid
Hexanedioicacid
己二酸 [Chinese]
02130_FLUKA [DBID]
09582_FLUKA [DBID]
27635_RIEDEL [DBID]
A26357_ALDRICH [DBID]
AI3-03700 [DBID]
AIDS017696 [DBID]
AIDS-017696 [DBID]
bmse000424 [DBID]
BRN 1209788 [DBID]
C06104 [DBID]
CCRIS 812 [DBID]
CHEBI:30832 [DBID]
FEMA No. 2011 [DBID]
FEMA Number 2011 [DBID]
HSDB 188 [DBID]
LMFA01170048 [DBID]
LS-690 [DBID]
NCGC00091345-01 [DBID]
nchembio815-comp1a [DBID]
NCIOpen2_001004 [DBID]
NCIOpen2_001222 [DBID]
NSC 7622 [DBID]
NSC7622 [DBID]
NSC85380 [DBID]
NSC87836 [DBID]
W201103_ALDRICH [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) = 0.23 Log Kow (Exper. database match) = 0.08 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 310.29 (Adapted Stein & Brown method) Melting Pt (deg C): 101.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-005 (Modified Grain method) MP (exp database): 153.2 deg C BP (exp database): 337.5 deg C VP (exp database): 3.18E-07 mm Hg at 25 deg C Subcooled liquid VP: 5.89E-006 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): 1.673e+005 log Kow used: 0.08 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 3.08e+004 mg/L (34 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 42286 mg/L Wat Sol (Exper. database match) = 30800.00 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 : 9.53E-012 atm-m3/mole Group Method: 8.10E-013 atm-m3/mole Exper Database: 4.71E-12 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.471E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.08 (exp database) Log Kaw used: -9.715 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.795 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8234 Biowin2 (Non-Linear Model) : 0.9020 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.6054 (days-weeks ) Biowin4 (Primary Survey Model) : 4.4080 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8374 Biowin6 (MITI Non-Linear Model): 0.9084 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.3136 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): 0.000785 Pa (5.89E-006 mm Hg) Log Koa (Koawin est ): 9.795 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00382 Octanol/air (Koa) model: 0.00153 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.121 Mackay model : 0.234 Octanol/air (Koa) model: 0.109 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.5893 E-12 cm3/molecule-sec Half-Life = 1.914 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.964 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.178 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 21.48 Log Koc: 1.332 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: 0.08 (expkow database) Volatilization from Water: Henry LC: 4.71E-012 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.503E+008 hours (6.261E+006 days) Half-Life from Model Lake : 1.639E+009 hours (6.831E+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 0.000167 45.9 1000 Water 34 208 1000 Soil 66 416 1000 Sediment 0.0594 1.87e+003 0 Persistence Time: 389 hr
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