1,3-Benzenedicarboxylic acid, dimethyl ester

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Condensed phase thermochemistry data

Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid-174.5 ± 0.48kcal/molCcbRoux, Jimenez, et al., 1998 
Δfsolid-174.69 ± 0.24kcal/molCcbColomina, Laynez, et al., 1972 
Quantity Value Units Method Reference Comment
Δcsolid-1107.6 ± 0.36kcal/molCcbRoux, Jimenez, et al., 1998Corresponding Δfsolid = -174.5 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-1107.40 ± 0.21kcal/molCcbColomina, Laynez, et al., 1972Corresponding Δfsolid = -174.68 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

Go To: Top, Condensed phase thermochemistry 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 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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Tboil555.2KN/AWeast and Grasselli, 1989BS
Tboil555.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus340.9 to 341.4KN/ABuckingham and Donaghy, 1982BS
Tfus340.7KN/ADozen, Fujishima, et al., 1978Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple341.5KN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc766.KN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 6. K; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
Pc26.15atmN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 1.97 atm; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
ρc1.761mol/lN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.13 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap18.5 ± 0.2kcal/molEB,IPSteele, Chirico, et al., 1997, 2Based on data from 350. to 607. K.; AC
Quantity Value Units Method Reference Comment
Δsub24.07kcal/molCMaksimuk, Kabo, et al., 1998AC
Δsub24.12 ± 0.05kcal/molCRoux, Jimenez, et al., 1998ALS
Δsub24.12kcal/molN/ARoux, Jimenez, et al., 1998DRB
Δsub24.12 ± 0.05kcal/molN/AVictoria Roux, Jime´nez, et al., 1998AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
397.20.016Weast and Grasselli, 1989BS
397.0.016Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
14.5408.A,GSStephenson and Malanowski, 1987Based on data from 393. to 550. K. See also Voitkevich, 1963.; AC

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
24.07 ± 0.05302.MEVictoria Roux, Jime´nez, et al., 1998Based on data from 295. to 309. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
6.05341.2Acree, 1993AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


IR Spectrum

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

Gas Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

Colomina, Laynez, et al., 1972
Colomina, M.; Laynez, J.L.; Perez-Ossorio, R.; Turrion, C., Enthalpies of combustion and formation of six methyl esters of benzene carboxylic acids, J. Chem. Thermodyn., 1972, 4, 499-506. [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]

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]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturated Line, Measurements for Dimethyl Isophthalate, Dimethyl Carbonate, 1,3,5-Trimethyl benzene, Pentafluorophenol, 4-tert-Butylcatechol, .alp, J. Chem. Eng. Data, 1997, 42, 1008-20. [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturation Line, Measurements for Dimethyl Isophthalate, Dimethyl Carbonate, 1,3,5-Triethylbenzene, Pentafluorophenol, 4- tert -Butylcatechol, α-Methylstyrene, and N , N '-Bis(2-hydroxyethyl)ethylenediamine, J. Chem. Eng. Data, 1997, 42, 6, 1008-1020, https://doi.org/10.1021/je970102d . [all data]

Maksimuk, Kabo, et al., 1998
Maksimuk, Yury V.; Kabo, Gennady J.; Simirsky, Vladimir V.; Kozyro, Alexander A.; Sevruk, Victor M., Standard Enthalpies of Formation of Some Methyl Esters of Benzene Carboxylic Acids, J. Chem. Eng. Data, 1998, 43, 3, 293-298, https://doi.org/10.1021/je970116j . [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]

Voitkevich, 1963
Voitkevich, S.A., Tr. Vses. Nauchn.-Issled. Inst. Sintetich. i Natural'n Dushistykh Veshchestv., 1963, 91. [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

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References