1,2-Benzenedicarboxylic acid, bis(3-methylbutyl) ester
- Formula: C18H26O4
- Molecular weight: 306.3966
- IUPAC Standard InChI: InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
- IUPAC Standard InChIKey: JANBFCARANRIKJ-UHFFFAOYSA-N
- CAS Registry Number: 605-50-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Diisoamyl phthalate; Diisopentyl phthalate; Phthalic acid, diisopentyl ester; Disoamyl phthalate; Phthalic acid, di(3-methylbutyl) ester
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -941.0 ± 5.0 | kJ/mol | Ccb | Tavernier and Lamouroux, 1957 | Reanalyzed by Cox and Pilcher, 1970, Original value = -922.903 kJ/mol; Author's hf298_condensed=-229.541 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -9857.9 ± 5.0 | kJ/mol | Ccb | Tavernier and Lamouroux, 1957 | Reanalyzed by Cox and Pilcher, 1970, Original value = -9876.119 kJ/mol; Author's hf298_condensed=-229.541 kcal/mol; Corresponding ΔfHºsolid = -941.07 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 81.6 | 405. | A | Stephenson and Malanowski, 1987 | Based on data from 390. - 610. K. |
Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 230. | 2045. | Friocourt, Berthou, et al., 1979 | 50. m/0.3 mm/0.35 μm, H2 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 2116. | Zaikin, 2009 | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tavernier and Lamouroux, 1957
Tavernier, P.; Lamouroux, M.,
Determinations calorimetriques relatives a vingt et une substances organiques,
Mem. Poudres, 1957, 39, 335-356. [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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Friocourt, Berthou, et al., 1979
Friocourt, M.P.; Berthou, F.; Picart, D.; Dreano, Y.; Floch, H.H.,
Glass Capillary Column Gas Chromatography of Phthalate Esters,
J. Chromatogr., 1979, 172, 1, 261-271, https://doi.org/10.1016/S0021-9673(00)90961-0
. [all data]
Zaikin, 2009
Zaikin, V.G.,
Personal Communication: Retention indices measured during the period 2008 to 2009, 2009. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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