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

Benzyl isocyanate

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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)-
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Physical Properties

Property Value Unit Source
Δfgas 22.67 kJ/mol Joback Calculated Property
Δvap 45.21 kJ/mol Joback Calculated Property
log10WS -6.27 Crippen Calculated Property
logPoct/wat 1.522 Crippen Calculated Property
McVol 107.070 ml/mol McGowan Calculated Property
Pc 4000.70 kPa Joback Calculated Property
Inp [1125.80; 1137.00]   Show Hide
Inp 1125.80 NIST
Inp 1137.00 NIST
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 363.00 NIST

Similar Compounds

Benzene, (isothiocyanatomethyl)-. m-Xylylene diisocyanate. p-Methylbenzyl isothiocyanate. Benzene, (isocyanomethyl)-. 3-Methylbenzyl isothiocyanate. Benzene, 1-chloro-4-(isothiocyanatomethyl)-. N''-Benzyl-N,N,N',N'-tetramethyl -guanidine. Benzene, (azidomethyl)-. N'-Benzyl-N,N-dimethylformamidine. Benzylamine. N,N-Difluorobenzylamine. Isothiocyanic acid, m-chlorobenzyl ester. 4-Fluorobenzyl isothiocyanate. 1-(Isocyanatomethyl)-4-(methyloxy)benzene. Benzenemethanamine, N-(phenylmethylene)-.

Find more compounds similar to Benzyl isocyanate.

Sources

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