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 Copy

  
• IUPAC Standard InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N Copy
• 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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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Gas Chromatography
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Phase change data

Go To: Top, 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Reduced pressure boiling point

Enthalpy of vaporization

Antoine Equation Parameters

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

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Enthalpy of fusion

Entropy of fusion

IR Spectrum

Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% IN CCl4 FOR 3800-1330, 10% IN CS2 FOR 1330-620, AND 10% CCl4 FOR 620-240 CM^-1) VERSUS SOLVENT; PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

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

References

Go To: Top, 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.

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]

Perkin, 1896
Perkin, W.H., LXIX. On Magnetic Rotatory Power, especially of Aromatic Compounds, J. Chem. Soc., 1896, 69, 1025-1257. [all data]

Timmermans and Hennaut-Roland, 1955
Timmermans, J.; Hennaut-Roland, M., Work of the International Bureau of Physical-Chemical Standards. IX. The Physical Constants of Twenty Organic Compounds, J. Chim. Phys. Phys.-Chim. Biol., 1955, 52, 223. [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 360 K, J. Res. Natl. Bur. Stand., Sect. A, 1967, 71, 293. [all data]

Rohác, Ruzicka, et al., 2004
Rohác, Vladislav; Ruzicka, Kvetoslav; Ruzicka, Vlastimil; Zaitsau, Dzmitry H.; Kabo, Gennady J.; Diky, Vladimir; Aim, Karel, Vapour pressure of diethyl phthalate, The Journal of Chemical Thermodynamics, 2004, 36, 11, 929-937, https://doi.org/10.1016/j.jct.2004.07.025 . [all data]

Fuchs and Peacock, 1980
Fuchs, Richard; Peacock, L. Alan, Heats of vaporization of esters by the gas chromatography--calorimetry method, Can. J. Chem., 1980, 58, 24, 2796-2799, https://doi.org/10.1139/v80-447 . [all data]

Grayson and Fosbraey, 2006
Grayson, B. Terence; Fosbraey, Lynda A., Determination of the vapour pressure of pesticides, Pestic. Sci., 2006, 13, 3, 269-278, https://doi.org/10.1002/ps.2780130308 . [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]

Hoyer and Peperle, 1958
Hoyer, H.; Peperle, W., Dampfdrunkmessungen an organischen substanzen und ihre sublimationswarmen, Z. Electrochem., 1958, 62, 61-66. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Chang, Horman, et al., 1967, 2
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]

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, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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