- InChI
- InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
- InChI Key
- RUELTTOHQODFPA-UHFFFAOYSA-N
- Formula
- C9H6N2O2
- SMILES
- Cc1c(N=C=O)cccc1N=C=O
- Molecular Weight1
- 174.16
- CAS
- 91-08-7
- Other Names
-
- 2,6-Diisocyanatotoluene
- Isocyanic acid, 2-methyl-m-phenylene ester
- 2-Methyl-m-phenylene isocyanate
- 2,6-TDI
- Toluene 2,6-Diisocyanate
- Tolylene 2,6-diisocyanate
- m-Tolylene diisocyanate
- 2,6-Toluene diisocyanate
- 2-Methyl-m-phenylene diisocyanate
- Benzene, 2,6-diisocyanato-1-methyl-
- 2,6-Diisocyanato-1-methylbenzene
- Isocyanic acid, 2-methyl-meta-phenylene ester
- 2-Methyl-meta-phenylene diisocyanate
- 2-Methyl-meta-phenylene isocyanate
- meta-Tolylene diisocyanate
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5560 | Relay (... Calculated Property | |
| ΔfG° | 122.84 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -38.59 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.97 | kJ/mol | Relay (... Calculated Property |
| IE | 8.61 | eV | Relay (... Calculated Property |
| log10WS | -2.77 | Relay (... Calculated Property | |
| logPoct/wat | 1.930 | Crippen Calculated Property | |
| McVol | 128.410 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Tboil | 499.10 | K | Relay (... Calculated Property |
| Tc | 727.86 | K | Relay (... Calculated Property |
| Tfus | 357.03 | K | Relay (... Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 60.40 | kJ/mol | 418.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1,3-diisocyanato-2-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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