Hexanedioic acid
- Formula: C6H10O4
- Molecular weight: 146.1412
- IUPAC Standard InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
- CAS Registry Number: 124-04-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Adipic acid; Acifloctin; Acinetten; Adilactetten; 1,4-Butanedicarboxylic acid; 1,6-Hexanedioic acid; Adipinic acid; Kyselina adipova; Adi-pure; NSC 7622; Hexanedioc acid
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Condensed phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -244.101 | kcal/mol | Ccb | Contineanu, Corlateanu, et al., 1980 | ALS |
ΔfH°solid | -238.58 ± 0.10 | kcal/mol | Ccb | Babinkov, Nistratov, et al., 1979 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -661.7 ± 1.4 | kcal/mol | Ccb | Contineanu, Corlateanu, et al., 1980 | Corresponding ΔfHºsolid = -244.152 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -667.30 ± 0.10 | kcal/mol | Ccb | Babinkov, Nistratov, et al., 1979 | Corresponding ΔfHºsolid = -238.58 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -668.23 ± 0.18 | kcal/mol | Ccr | Sunner, 1946 | Corresponding ΔfHºsolid = -237.65 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -669.80 ± 0.33 | kcal/mol | Ccb | Verkade, Hartman, et al., 1926 | Reanalyzed by Cox and Pilcher, 1970, Original value = -668.9 kcal/mol; See Verkade, Hartman, et al., 1924; Corresponding ΔfHºsolid = -236.08 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Reaction thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C6H9O4- + =
By formula: C6H9O4- + H+ = C6H10O4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 325.1 ± 2.0 | kcal/mol | CIDC | Kumar, Prabhakar, et al., 2005 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 321.1 ± 2.0 | kcal/mol | CIDC | Kumar, Prabhakar, et al., 2005 | gas phase |
Henry's Law data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
2.0×10+8 | E | N/A | Value obtained by missing citation using the group contribution method. | |
1.8×10+7 | 11000. | X | N/A |
References
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Contineanu, Corlateanu, et al., 1980
Contineanu, I.; Corlateanu, E.; Hersocovici, J.; Marchidan, D.I.,
Combustion and formation enthalpies of 1,6-hexanediol and adipic acid,
Rev. Chim. (Bucharest), 1980, 31, 763-764. [all data]
Babinkov, Nistratov, et al., 1979
Babinkov, A.G.; Nistratov, V.P.; Larina, V.N.; Shvetsova, K.G.; Sapozhnikov, V.N.; Zhilitskaya, O.M.,
Thermodynamic properties of adipic acid,
Termodin. Org. Soedin., 1979, 28-33. [all data]
Sunner, 1946
Sunner, S.,
Determination of combustion heats of organo-sulphur compounds,
Svensk. Kim. Tidr., 1946, 58, 71-81. [all data]
Verkade, Hartman, et al., 1926
Verkade, P.E.; Hartman, H.; Coops, J.,
Calorimetric researches. X. Heats of combustion of successive terms of homologous series: dicarboxylic acids of the oxalic acid series,
Rec. Trav. Chim. Pays/Bas, 1926, 45, 373-393. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Verkade, Hartman, et al., 1924
Verkade, P.E.; Hartman, H.; Coops, J., Jr.,
Chemistry - The molecular heat of combustion of successive terms of homologous series,
Kom. Med. Akad. Ueknschap. Proc., 1924, 27, 859-866. [all data]
Kumar, Prabhakar, et al., 2005
Kumar, M.R.; Prabhakar, S.; Nagaveni, V.; Vairamani, M.,
Estimation of gas-phase acidities of a series of dicarboxylic acids by the kinetic method,
Rapid Commun. Mass Spectrom., 2005, 19, 8, 1053-1057, https://doi.org/10.1002/rcm.1888
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References
- Symbols used in this document:
d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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