Chemical Properties of Benzene, 1,3-diisocyanato-2-methyl- (CAS 91-08-7)

Benzene, 1,3-diisocyanato-2-methyl-

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-Diisocyanato-1-methylbenzene
  • 2,6-Diisocyanatotoluene
  • 2,6-TDI
  • 2,6-Toluene diisocyanate
  • 2-Methyl-m-phenylene diisocyanate
  • 2-Methyl-m-phenylene isocyanate
  • 2-Methyl-meta-phenylene diisocyanate
  • 2-Methyl-meta-phenylene isocyanate
  • Benzene, 2,6-diisocyanato-1-methyl-
  • Isocyanic acid, 2-methyl-m-phenylene ester
  • Isocyanic acid, 2-methyl-meta-phenylene ester
  • Toluene 2,6-Diisocyanate
  • Tolylene 2,6-diisocyanate
  • m-Tolylene diisocyanate
  • meta-Tolylene diisocyanate
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Physical Properties

Property Value Unit Source
ΔfH°gas -38.59 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 60.12 kJ/mol Relay (1.0) Calculated Property
IE 8.61 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 728.53 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
ΔvapH 60.40 kJ/mol 418.00 NIST

Similar Compounds

Benzene, 1-isocyanato-2-methyl-. Benzene, 2,4-diisocyanato-1-methyl-. 2,3-Dimethylphenylisocyanate. Benzene, 1-isothiocyanato-2-methyl-. 2,6-Dimethylphenyl isocyanate. 2,3-Dimethylphenylisothiocyanate. 4-Chloro-2-methylphenyl isocyanate. 2-Methyl-1,5-naphthalene diisocyanate. Benzene, 1-isocyanato-3-methyl-. 2,5-Dimethylphenyl isothiocyanate. Ethyl-m-phenylenediisocyanate. N1N1-dimethyl-N2-ortho-methylphenylformamidine. 2,6-Dimethylphenyl isothiocyanate. N-benzylidene-o-toluidine. 2,4-Dimethylphenylisothiocyanate.

Find more compounds similar to Benzene, 1,3-diisocyanato-2-methyl-.

Sources

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