Butanedioic acid, dibutyl ester
- Formula: C12H22O4
- Molecular weight: 230.3007
- IUPAC Standard InChIKey: YUXIBTJKHLUKBD-UHFFFAOYSA-N
- CAS Registry Number: 141-03-7
- 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: Succinic acid, dibutyl ester; Di-n-butyl succinate; Dibutyl succinate; Succinic acid di-n-butyl ester; Tabatrex; Tabutrex; Butyl butanedioate; B-9; Di-n-butylester kyseliny jantarove; DNBS; ENT 666; Butanedioic acid, 1,4-dibutyl ester; NSC 1502; Dibutyl butanedioate
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 131.08 | cal/mol*K | N/A | Khodzhayeva, Pulatova, et al., 1989 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
104.26 | 298.15 | Khodzhayeva, Pulatova, et al., 1989 | T = 90 to 400 K. |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 408. | K | N/A | Fenton, 1968 | Uncertainty assigned by TRC = 6. K; TRC |
Tboil | 547.7 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 1. K; source of data not clear; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.9816 | 244.13 | Khodzhayeva, Pulatova, et al., 1989 | DH |
6.981 | 244.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
28.585 | 244.13 | Khodzhayeva, Pulatova, et al., 1989 | DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1994 |
NIST MS number | 133329 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Khodzhayeva, Pulatova, et al., 1989
Khodzhayeva, M.G.; Pulatova, M.A.; Nadirova, D.A.; Gabzalilova, N.R.; Ismailov, T.S.,
Thermodynamic properties of dibutyl succinate,
Khim.-Farm. Zhur., 1989, 23(3), 378-380. [all data]
Fenton, 1968
Fenton, D.M.,
, 1968. [all data]
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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