Diethyl Phthalate

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Gas phase 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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-661.4kJ/molN/ABaroody and Carpenter, 1972Value 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.
Δfgas-685. ± 13.kJ/molN/AMedard and Thomas, 1952Value 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.

Condensed phase 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 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
Δfliquid-753.08kJ/molCcrBaroody and Carpenter, 1972ALS
Δfliquid-777. ± 12.kJ/molCcbMedard and Thomas, 1952Reanalyzed by Cox and Pilcher, 1970, Original value = -768.2 kJ/mol; Author's hf291_condensed=-189.5 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-5946. ± 12.kJ/molCcbMedard and Thomas, 1952Reanalyzed by Cox and Pilcher, 1970, Original value = -5954.7 kJ/mol; Author's hf291_condensed=-189.5 kcal/mol; Corresponding Δfliquid = -776.63 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-6073.9kJ/molCcbBall, 1931Corresponding Δfliquid = -648.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-6077.65kJ/molCcbBall, 1931Corresponding Δfliquid = -645.28 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid425.08J/mol*KN/AChang, Horman, et al., 1967DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
357.7298.15Fuchs, 1979DH
366.15298.15Chang, Horman, et al., 1967T = 10 to 360 K. Glass transition temperature about 180 K. Also data for annealed glass and quenched glass 10 to 170 K.; DH

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

Methane, bromotrinitro- + 218.5Water + 11.25Oxygen + Diethyl Phthalate = Hydrogen bromide + 13Carbon dioxide + 1.5Nitrogen

By formula: CBrN3O6 + 218.5H2O + 11.25O2 + C12H14O4 = HBr + 13CO2 + 1.5N2

Quantity Value Units Method Reference Comment
Δr-6350.2 ± 1.0kJ/molCcrCarpenter, Zimmer, et al., 1970liquid 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
0.540014ECDKuhn, Levins, et al., 1968Done at constant temperature, accuracy uncertain: Chen and Wentworth, 1989;

References

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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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Ball, 1931
Ball, A.M., Burning characteristics of smokeless powder, Ind. Eng. Chem., 1931, 23, 498-501. [all data]

Chang, Horman, et al., 1967
Chang, S.S.; Horman, J.A.; Bestul, A.B., Heat capacities and related thermal data for diethyl phthalate crystal, glass, and liquid to 360K, J. Res., 1967, NBS 71A, 293-305. [all data]

Fuchs, 1979
Fuchs, R., Heat capacities of some liquid aliphatic, alicyclic, and aromatic esters at 298.15 K, J. Chem. Thermodyn., 1979, 11, 959-961. [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

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