Chemical Properties of Benzyl isocyanate (CAS 3173-56-6)

Benzyl isocyanate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChI Key
YDNLNVZZTACNJX-UHFFFAOYSA-N
Formula
C8H7NO
SMILES
O=C=NCc1ccccc1
Molecular Weight1
133.15
CAS
3173-56-6
Other Names
  • Benzene, (isocyanatomethyl)-
Sources

Physical Properties

Property Value Unit Source
Δfgas 22.67 kJ/mol Joback Calculated Property
Δvap 45.21 kJ/mol Joback Calculated Property
logPoct/wat 1.52 Crippen Calculated Property
Pc 4000.70 kPa Joback Calculated Property
Tboil 475.79 K Joback Calculated Property
Tc 696.70 K Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 42.30 kJ/mol 363.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C= 1
-N= 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 1
=O 1

Similar Compounds

Benzene, (isothiocyanatomethyl)-. Phenylmethylammonium chloride. Benzylamine. N'-Benzyl-N,N-dimethylformamidine. P-methylbenzyl isothiocyanate. Methanone, 1-phenyl-1-isocyanato-. Benzenemethanamine, N-(phenylmethylene)-. 1-(Isocyanatomethyl)-4-(methyloxy)benzene. 3-Methylbenzyl isothiocyanate. Benzenemethanamine, 4-methyl-. 4-Chlorobenzyl isothiocyanate. p-Xylylenediamine. Benzylhydrazine. Benzenemethanamine, N-methyl-. 4-Fluorobenzyl isothiocyanate.

Find more compounds similar to Benzyl isocyanate.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.