- InChI
- InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
- InChI Key
- DVKJHBMWWAPEIU-UHFFFAOYSA-N
- Formula
- C9H6N2O2
- SMILES
- Cc1ccc(N=C=O)cc1N=C=O
- Molecular Weight1
- 174.16
- CAS
- 584-84-9
- 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
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4235.00 | kJ/mol | NIST |
| ΔfH°gas | -35.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.930 | Crippen Calculated Property | |
| McVol | 128.410 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Tc | 739.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 287.80 | J/mol×K | 298.00 | NIST |
| ΔvapH | [57.70; 61.30] | kJ/mol | [403.00; 461.50] | 
|
| ΔvapH | 57.70 ± 0.20 | kJ/mol | 403.00 | NIST |
| ΔvapH | 59.70 | kJ/mol | 451.50 | NIST |
| ΔvapH | 61.30 | kJ/mol | 451.50 | NIST |
| ΔvapH | 59.50 | kJ/mol | 461.50 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 2,4-diisocyanato-1-methyl-.
Sources
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