Chemical Properties of Benzylcarbamate (CAS 621-84-1)

Benzylcarbamate

InChI
InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChI Key
PUJDIJCNWFYVJX-UHFFFAOYSA-N
Formula
C8H9NO2
SMILES
NC(=O)OCc1ccccc1
Molecular Weight1
151.16
CAS
621-84-1
Other Names
  • Carbamic acid benzyl ester
  • Carbamic acid, phenylmethyl ester
  • o-benzyl carbamate
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Physical Properties

Property Value Unit Source
ΔfH°gas -307.69 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 20.08 kJ/mol Joback Calculated Property
ΔvapH° 69.21 kJ/mol Relay (1.0) Calculated Property
IE 9.17 eV Relay (1.0) Calculated Property
log10WS -0.35 Aq. Solubility Prediction
logPoct/wat 1.282 Crippen Calculated Property
McVol 117.240 ml/mol McGowan Calculated Property
Pc 3940.66 kPa Joback Calculated Property
Tboil 505.71 K Relay (1.0) Calculated Property
Tfus 360.65 K Aq. Solubility Prediction

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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
Cp,gas [263.16; 322.76] J/mol×K [540.07; 767.17] Show Hide
Cp,gas 263.16 J/mol×K 540.07 Joback Calculated Property
Cp,gas 275.04 J/mol×K 577.92 Joback Calculated Property
Cp,gas 286.12 J/mol×K 615.77 Joback Calculated Property
Cp,gas 296.41 J/mol×K 653.62 Joback Calculated Property
Cp,gas 305.93 J/mol×K 691.47 Joback Calculated Property
Cp,gas 314.71 J/mol×K 729.32 Joback Calculated Property
Cp,gas 322.76 J/mol×K 767.17 Joback Calculated Property

Similar Compounds

Hydrazinecarboxylic acid, phenylmethyl ester. Formic acid, phenylmethyl ester. Benzyl chloroformate. dibenzyl carbonate. Trifluoroacetic acid, benzyl ester. Benzene, (methoxymethyl)-. Acetic acid, phenylmethyl ester. Benzene, 1,1'-[oxybis(methylene)]bis-. Formic acid, (4-methylphenyl)methyl ester. Formic acid, (3-methylphenyl)methyl ester. BENZYL 2-BROMOACETATE. Benzyl alcohol, chlorodifluoroacetate. Carbonic acid, O(1)-benzyl-O(2)-ethyl(ester). Benzyl Benzoate. Formic acid, (3-bromophenyl)methyl ester.

Find more compounds similar to Benzylcarbamate.

Sources

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