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Dibutyl 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
Deltafgas-686.3kJ/molN/ATaylor, Hall, et al., 1947Value computed using «DELTA»fHliquid° value of -778 kj/mol from Taylor, Hall, et al., 1947 and «DELTA»vapH° 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
Deltafliquid-778.kJ/molCcbTaylor, Hall, et al., 1947At 290 °K, corrected hf; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-8661.kJ/molCcbTaylor, Hall, et al., 1947At 290 °K, corrected hf; Corresponding «DELTA»fliquid = -778. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid561.1J/mol*KN/ARabinovich, Novoselova, et al., 1985DH
liquid933.0J/mol*KN/ARabinovich, Martynenko, et al., 1969DH
Quantity Value Units Method Reference Comment
Deltafsolid-843. ± 13.kJ/molCcbAmbler, 1936Reanalyzed by Cox and Pilcher, 1970, Original value = -827. ± 13. kJ/mol; Author's hf298=-198 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-8598. ± 13.kJ/molCcbAmbler, 1936Reanalyzed by Cox and Pilcher, 1970, Original value = -8613. ± 13. kJ/mol; Author's hf298=-198 kcal/mol; Corresponding «DELTA»fsolid = -842.57 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
solid,1 bar514.6J/mol*KN/AMartynenko, Rabinovich, et al., 1970DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
476.0298.15Rabinovich, Novoselova, et al., 1985T = 14 to 300 K.; DH
477.0300.Rabinovich, Martynenko, et al., 1969T = 60 to 360 K.; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
477.0300.Martynenko, Rabinovich, et al., 1970T = 60 to 360 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil613.2KN/AWeast and Grasselli, 1989BS
Tboil613.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus238.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Deltavap91.7 ± 4.6kJ/molVBirks and Bradley, 1949ALS
Quantity Value Units Method Reference Comment
Deltasub89.54kJ/molVHickman, Hecker, et al., 1937ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
80.4462.N/AKatayama, 1988AC
94.0329.AStephenson and Malanowski, 1987Based on data from 314. - 469. K.; AC
76.1483.AStephenson and Malanowski, 1987Based on data from 468. - 605. K.; AC
91.7300.N/ABirks and Bradley, 1949Based on data from 288. - 313. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
398.8 - 475.204.305682083.175-131.7Hammer and Lydersen, 1957Coefficents calculated by NIST from author's data.

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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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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Mass 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, 1990.
NIST MS number 114974

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Taylor, Hall, et al., 1947
Taylor, J.; Hall, C.R.L.; Thomas, H., The thermochemistry of propellent explosives, J. Phys. Colloid Chem., 1947, 51, 580-592. [all data]

Rabinovich, Novoselova, et al., 1985
Rabinovich, I.B.; Novoselova, N.V.; Moseeva, E.M.; Babinkov, A.G.; Tsvetkova, L.Ya., Low temperature specific heat and thermodynamic functions of dibutyl and dioctyl phthalate, Zhur. Fiz. Khim., 1985, 59, 2127-2130. [all data]

Rabinovich, Martynenko, et al., 1969
Rabinovich, I.E.; Martynenko, L.Ya.; Maslova, V.A., Specific heat and physical properties of some dialkyl phthalates, Tr. Khim. Khim. Tekhnol. 1969, 1969, No.2, 10-14. [all data]

Ambler, 1936
Ambler, H.R., Heats of combustion and formation of dibutyl and diamyl phthalates, J. Indian Chem. Soc., 1936, 55, 291-292. [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]

Martynenko, Rabinovich, et al., 1970
Martynenko, L.Ya.; Rabinovich, I.B.; Ovchinnikov, Yu.V.; Maslova, V.A., Heat capacity of the systems polyvinyl chloride-dioctylphthalate and polyvinyl chloride-dibutylphthalate, Polymer Sci., 1970, USSR 12A, 952-961. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Birks and Bradley, 1949
Birks, J.; Bradley, R.S., The rate of evaporation of droplets. II. The influence of changes of temperature and of the surrounding gas on the rate of evaporation of drops of di-n-butyl phthalate, Proc. Roy. Soc. London A, 1949, 198, 226-239. [all data]

Hickman, Hecker, et al., 1937
Hickman, K.C.D.; Hecker, J.C.; Embree, N.D., Direct determination of low vapor pressures, Ind. Eng. Chem., 1937, 9, 264-267. [all data]

Katayama, 1988
Katayama, Hirotake, Vapor pressures of diethyl, diisopropyl, and dibutyl phthalates at reduced pressures., Bull. Chem. Soc. Jpn., 1988, 61, 9, 3326-3328, https://doi.org/10.1246/bcsj.61.3326 . [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]

Hammer and Lydersen, 1957
Hammer, E.; Lydersen, A.L., The Vapour Pressure of di-n-Butylphthalate, di-n-Butylsebacate, Lauric Acid and Myristic Acid, Chem. Eng. Sci., 1957, 7, 1-2, 66-72, https://doi.org/10.1016/0009-2509(57)80020-7 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References