Benzene, 2,4-diisocyanato-1-methyl-
- Formula: C9H6N2O2
- Molecular weight: 174.1561
- IUPAC Standard InChI: InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
- IUPAC Standard InChIKey: DVKJHBMWWAPEIU-UHFFFAOYSA-N
- CAS Registry Number: 584-84-9
- 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: 2,4-Diisocyanato-1-methylbenzene; 2,4-Diisocyanatotoluene; Isocyanic acid, 4-methyl-m-phenylene ester; 4-Methyl-m-phenylene diisocyanate; 4-Methyl-m-phenylene isocyanate; 2,4-TDI; 2,4-Toluene diisocyanate; 2,4-Tolylene diisocyanate; Tolylene-2,4-diisocyanate; Toluylene-2,4-diisocyanate; 4-Methyl-1,3-phenylene diisocyanate; Di-iso-cyanatoluene; Di-isocyanate de toluylene; Diisocyanat-toluol; NCI-C50533; Tolueen-diisocyanaat; Toluen-disocianato; Toluilenodwuizocyjanian; Tuluylendiisocyanat; TDI; Cresorcinol diisocyanate; Desmodur T80; Hylene T; Hylene tcpa; Hylene tlc; Hylene tm; Hylene tm-65; Hylene trf; Mondur TD; Mondur TD-80; Mondur tds; Rcra waste number U223; Rubinate tdi 80/20; TDI-80; Tolyene 2,4-diisocyanate; Nacconate 100; NSC 4791; Toluene 2,4-diisocyanate
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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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -4235.0 | kJ/mol | Ccb | Strepikheev, Baranov, et al., 1962 | ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 287.8 | 298. | Strepikheev, Baranov, et al., 1962 | DH |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 59.7 | 388. | A | Stephenson and Malanowski, 1987 | Based on data from 373. to 530. K.; AC |
| 59.5 | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 530. K.; AC |
| 61.3 | 388. | I | Frensdorff and Adams, 1975 | Based on data from 373. to 530. K.; AC |
| 57.7 ± 0.2 | 403. | N/A | Strepikheev, Novikova, et al., 1972 | Based on data from 373. to 433. 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 |
|---|---|---|---|---|---|
| 293. to 443.3 | 4.59647 | 2064.243 | -75.176 | Frensdorff and Adams, 1975 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Strepikheev, Baranov, et al., 1962
Strepikheev, Yu.A.; Baranov, Yu.I.; Burmistrova, O.A.,
Determination of the heats of combustion and the heat capacities of several mono- and di-isocyanates,
Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1962, 5, 387-390. [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]
Frensdorff and Adams, 1975
Frensdorff, H.K.; Adams, R.K.,
Vapor pressure of 2,4-tolylene diisocyanate,
J. Chem. Eng. Data, 1975, 20, 1, 13-15, https://doi.org/10.1021/je60064a003
. [all data]
Strepikheev, Novikova, et al., 1972
Strepikheev, Yu.A.; Novikova, O.P.; Chimishkyan, A.L.,
Khim. Prom. (Moscow), 1972, 48, 3, 230. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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