1,4-Benzenedicarboxylic acid, dimethyl ester
- Formula: C10H10O4
- Molecular weight: 194.1840
- IUPAC Standard InChIKey: WOZVHXUHUFLZGK-UHFFFAOYSA-N
- 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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Phase change data
Go To: Top, 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 415.2 | K | N/A | Dozen, Fujishima, et al., 1978 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 413.80 | K | N/A | Elliott and Chris, 1968 | Uncertainty assigned by TRC = 0.01 K; TRC |
Tfus | 413.8 | K | N/A | Smith and Dole, 1956 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 413. | K | N/A | Shirley and Reedy, 1951 | Uncertainty assigned by TRC = 4. K; TRC |
Tfus | 413. | K | N/A | Hennion and Kurtz, 1943 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 104.6 ± 0.3 | kJ/mol | C | Roux, Jimenez, et al., 1998 | ALS |
ΔsubH° | 104.6 ± 0.3 | kJ/mol | N/A | Victoria Roux, Jime´nez, et al., 1998 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
62. | 428. | A | Stephenson and Malanowski, 1987 | Based on data from 413. to 523. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
103.8 ± 0.3 | 321. | ME | Victoria Roux, Jime´nez, et al., 1998 | Based on data from 311. to 330. K.; AC |
94.4 | 388. | N/A | Stephenson and Malanowski, 1987 | Based on data from 373. to 413. K.; AC |
88.3 | 393. | GS | Kraus, Beranek, et al., 1962 | Based on data from 373. to 413. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
32.000 | 415.4 | Karyakin and Shvetsova, 1982 | DH |
31.631 | 413.79 | Elliott and Chris, 1968, 2 | DH |
32.100 | 413.8 | Smith and Dole, 1956, 2 | DH |
32.09 | 413.8 | Acree, 1993 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
77.0 | 415.4 | Karyakin and Shvetsova, 1982 | DH |
76.44 | 413.79 | Elliott and Chris, 1968, 2 | DH |
77.6 | 413.8 | Smith and Dole, 1956, 2 | DH |
References
Go To: Top, Phase change data, Notes
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
Go To: Top, Phase change data, References
- 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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