Chemical Properties of m-Phenylene diisocyanate

m-Phenylene diisocyanate

InChI
InChI=1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
InChI Key
VGHSXKTVMPXHNG-UHFFFAOYSA-N
Formula
C8H4N2O2
SMILES
O=C=Nc1cccc(N=C=O)c1
Molecular Weight1
160.13
Other Names
  • 1,3-Diisocyanatobenzene
  • 1,3-Phenylene diisocyanate
  • Benzene 1,3-diisocyanate
  • Benzene, 1,3-diisocyanato-
  • Benzene, m-diisocyanato-
  • Isocyanic acid, m-phenylene ester
  • NSC 511721
  • Nacconate 400
  • m-Phenylene isocyanate
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Physical Properties

Property Value Unit Source
ΔfH°gas -5.47 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 58.48 kJ/mol Relay (1.0) Calculated Property
IE 8.82 eV Relay (1.0) Calculated Property
logPoct/wat 1.621 Crippen Calculated Property
McVol 114.320 ml/mol McGowan Calculated Property
Pc 4316.89 kPa Joback Calculated Property
Tc 722.77 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.

Similar Compounds

Benzene, isocyanato-. Benzene, 1,4-diisocyanato-. Benzene, isothiocyanato-. Benzenamine, N,N'-methanetetraylbis-. 3-FLUOROPHENYL ISOCYANATE. 1,2-Phenylene diisothiocyanate. Phenyl isocyanide dichloride. 3-Bromophenyl isocyanate. 4-BROMOPHENYL ISOCYANATE. Benzene, 1-chloro-4-isocyanato-. Benzene, 1-chloro-3-isocyanato-. Bitoscanate. 2-Bromophenyl isocyanate. 2-FLUOROPHENYL ISOCYANATE. Benzene, 1-isocyanato-4-nitro-.

Find more compounds similar to m-Phenylene diisocyanate.

Sources

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