1,4-Benzenedicarboxylic acid, dimethyl ester

• Formula: C₁₀H₁₀O₄
• Molecular weight: 194.1840
• IUPAC Standard InChI: InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3 Copy

  
• IUPAC Standard InChIKey: WOZVHXUHUFLZGK-UHFFFAOYSA-N Copy
• CAS Registry Number: 120-61-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Terephthalic acid, dimethyl ester; Dimethyl p-phthalate; Dimethyl terephthalate; Dimethyl 1,4-benzenedicarboxylate; Methyl 4-(carbomethoxy)benzoate; Dimethyl p-benzenedicarboxylate; Dimethylester kyseliny isoftalove; DMT; NCI-C50055; Dimethylester kyseliny tereftalove; Dimethyl ester of 1,4-benzenedicarboxylic acid; Terephthalate, dimethyl; 1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester; Methyl p-(methoxycarbonyl)benzoate; NSC 3503; Dimethyl terphthalate
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• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Phase change 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:
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

Enthalpy of vaporization

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

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.

Dozen, Fujishima, et al., 1978
Dozen, Y.; Fujishima, S.; Shingu, H., Structures and fusion parameters of methoxycarbonyl-benzenes and -naphthalenes, Thermochim. Acta, 1978, 25, 2, 209, https://doi.org/10.1016/0040-6031(78)85008-4 . [all data]

Elliott and Chris, 1968
Elliott, J.H.; Chris, M.D., Some thermodynamic properties of high purity dimethyl terephthalate, J. Chem. Eng. Data, 1968, 13, 475. [all data]

Smith and Dole, 1956
Smith, C.W.; Dole, M., Specific heat of synthetic high polymers VII. Polyethylene terephthalate, J. Polym. Sci., 1956, 20, 37. [all data]

Shirley and Reedy, 1951
Shirley, D.A.; Reedy, Alkylation with Long Chain p-Toluenesulfonates. III. Reaction of n-Octadecyl p-Toluenesulfonate with p-Tolylmagensium Bromide, J. Am. Chem. Soc., 1951, 73, 4886. [all data]

Hennion and Kurtz, 1943
Hennion, G.F.; Kurtz, R.A., Some Friedel-Crafts Type ALkylations with Boron Trifluoride, J. Am. Chem. Soc., 1943, 65, 1001. [all data]

Roux, Jimenez, et al., 1998
Roux, M.A.; Jimenez, P.; Davalos, J.Z.; Turrion, C.; Afeefy, H.Y.; Liebman, J.F., Enthalpies of formation of methyl benzenecarboxylates, J. Chem. Soc. Faraday Trans., 1998, 94, 887-890. [all data]

Victoria Roux, Jime´nez, et al., 1998
Victoria Roux, María; Jime´nez, Pilar; Dávalos, Juan Z.; Turrión, Concepción; Afeefy, Hussein Y.; Liebman, Joel F., Enthalpies of formation of methyl benzenecarboxylates, Faraday Trans., 1998, 94, 7, 887-890, https://doi.org/10.1039/a800401c . [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]

Kraus, Beranek, et al., 1962
Kraus, M.; Beranek, L.; Kochloeff, K.; Bazant, V., Chem. Prum., 1962, 12, 649. [all data]

Karyakin and Shvetsova, 1982
Karyakin, N.V.; Shvetsova, K.G., Thermodynamics of reactions of 1,4-butanediol with terephthalic acid and its derivatives, Deposited Doc. SPSTL 861 Khp-D82, 1982, 14pp. [all data]

Elliott and Chris, 1968, 2
Elliott, J.H.; Chris, M.D., Some thermodynamic properties of high purity dimethyl terephthalate, J. Chem. Eng. Data, 1968, 13, 475-479. [all data]

Smith and Dole, 1956, 2
Smith, C.W.; Dole, M., Specific heat of synthetic high polymers. VII. Polyethylene terephthalate, J. Polym. Sci., 1956, 20, 37-56. [all data]

Acree, 1993
Acree, William E., Thermodynamic properties of organic compounds, Thermochimica Acta, 1993, 219, 97-104, https://doi.org/10.1016/0040-6031(93)80486-T . [all data]

Notes

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH	Enthalpy of vaporization

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