Diethyl Phthalate
- Formula: C12H14O4
- Molecular weight: 222.2372
- IUPAC Standard InChI: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
- IUPAC Standard InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N
- CAS Registry Number: 84-66-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,2-Benzenedicarboxylic acid, diethyl ester; Phthalic acid, diethyl ester; o-Benzenedicarboxylic acid, diethyl ester; Anozol; Ethyl phthalate; Neantine; Palatinol A; Phthalol; Placidol E; Solvanol; Unimoll DA; Diethyl-1,2-benzenedicarboxylate; Diethyl-o-phthalate; Diethylester kyseliny ftalove; Estol 1550; NCI-C60048; Phthalsaeurediaethylester; Rcra waste number U088; Diethyl ester of 1,2-Benzenedicarboxylic acid; DEP; Kodaflex DEP; 1,2-diethyl phthalate; 1,2-Benzenedicarboxylic acid, 1,2-diethyl ester; NSC 8905; o-Bis(ethoxycarbonyl)benzene
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -158.1 | kcal/mol | N/A | Baroody and Carpenter, 1972 | Value computed using ΔfHliquid° value of -753.08 kj/mol from Baroody and Carpenter, 1972 and ΔvapH° value of 91.7±4.6 kj/mol from missing citation. |
| ΔfH°gas | -163.8 ± 3.1 | kcal/mol | N/A | Medard and Thomas, 1952 | Value computed using ΔfHliquid° value of -777±12 kj/mol from Medard and Thomas, 1952 and ΔvapH° value of 91.7±4.6 kj/mol from missing citation. |
Reaction thermochemistry data
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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
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
+ 218.5
+ 11.25
+
=
+ 13
+ 1.5
By formula: CBrN3O6 + 218.5H2O + 11.25O2 + C12H14O4 = HBr + 13CO2 + 1.5N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1517.74 ± 0.24 | kcal/mol | Ccr | Carpenter, Zimmer, et al., 1970 | liquid phase; The HBr is in 225H2O |
Gas phase ion energetics data
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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
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.540014 | ECD | Kuhn, Levins, et al., 1968 | Done at constant temperature, accuracy uncertain: Chen and Wentworth, 1989; |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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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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Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 |
| NIST MS number | 341377 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.
Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A.,
Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]
Medard and Thomas, 1952
Medard, L.; Thomas, M.,
Determination des chaleurs de combustion de douze composes organiques utilises dans les poudres et enplosies,
Mem. Poudres, 1952, 34, 421-442. [all data]
Carpenter, Zimmer, et al., 1970
Carpenter, G.A.; Zimmer, M.F.; Baroody, E.E.; Robb, R.A.,
Enthalpy of formation of bromotrinitromethane,
J. Chem. Eng. Data, 1970, 15, 553-556. [all data]
Kuhn, Levins, et al., 1968
Kuhn, W.F.; Levins, R.J.; Lilly, A.C., Jr.,
Electron affinities and ionization potentials of phthalate compounds,
J. Chem. Phys., 1968, 49, 5550. [all data]
Chen and Wentworth, 1989
Chen, E.C.M.; Wentworth, W.E.,
Experimental Determination of Electron Affinities of Organic Molecules,
Mol. Cryst. Liq. Cryst., 1989, 171, 271. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
EA Electron affinity ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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