Chemical Properties of Benzoyl isocyanate (CAS 4461-33-0)

Benzoyl isocyanate

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InChI
InChI=1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H
InChI Key
LURYMYITPCOQAU-UHFFFAOYSA-N
Formula
C8H5NO2
SMILES
O=C=NC(=O)c1ccccc1
Molecular Weight1
147.13
CAS
4461-33-0
Other Names
  • Methanone, 1-phenyl-1-isocyanato-
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Physical Properties

Property Value Unit Source
Δfgas -89.91 kJ/mol Joback Calculated Property
Δvap 51.96 kJ/mol Joback Calculated Property
IE 9.60 eV NIST
log10WS -6.12 Crippen Calculated Property
logPoct/wat 1.163 Crippen Calculated Property
McVol 108.640 ml/mol McGowan Calculated Property
Pc 4339.67 kPa Joback Calculated Property
Tboil 529.66 K Joback Calculated Property
Tc 760.42 K Joback Calculated Property
Tfus 299.00 K NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [362.50; 475.00] K [2.70; 96.50] Show Hide
Tboilr 362.50 ± 1.50 K 2.70 NIST
Tboilr 475.00 K 96.50 NIST

Similar Compounds

Benzoyl isothiocyanate. Benzamide. 4-Chlorobenzoyl isothiocyanate. 3-Chlorobenzoyl isothiocyanate. 4-Methylbenzoyl isothiocyanate. Benzamide, N,N-dibenzoyl-. Benzamide, N-hydroxy-. Benzamide, N,N-dimethyl-. 3-Methylbenzoyl isothiocyanate. Benzoic acid, hydrazide. 2-Chlorobenzoyl isothiocyanate. Isophthalamide. Terephthalamide. Benzamide, N-methyl-. 4-Methoxybenzoyl isothiocyanate.

Find more compounds similar to Benzoyl isocyanate.

Sources

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