Chemical Properties of Benzyl chloroformate (CAS 501-53-1)

Benzyl chloroformate

InChI
InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key
HSDAJNMJOMSNEV-UHFFFAOYSA-N
Formula
C8H7ClO2
SMILES
O=C(Cl)OCc1ccccc1
Molecular Weight1
170.59
CAS
501-53-1
Other Names
  • Cbz chloride
  • Carbobenzoxy chloride
  • Carbonochloridic acid, phenylmethyl ester
  • Benzyl carbonochloridate
  • Benzyl chlorocarbonate
  • Benzyloxycarbonyl chloride
  • Carbobenzyloxy chloride
  • Chloroformic acid, benzyl ester
  • Formic acid, chloro-, benzyl ester
  • BZCF
  • UN 1739
  • Benzylcarbonyl chloride
  • Chloroformic acid, phenylmethyl ester
  • NSC 83466
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Physical Properties

Property Value Unit Source
ΔfH°gas -263.44 kJ/mol Relay (1.0) Calculated Property
ΔfH°liquid -376.20 ± 1.10 kJ/mol NIST
ΔfusH° 19.08 kJ/mol Joback Calculated Property
ΔvapH° 38.50 ± 0.10 kJ/mol NIST
IE 9.38 eV Relay (1.0) Calculated Property
log10WS -2.72 Relay (1.0) Calculated Property
logPoct/wat 2.562 Crippen Calculated Property
McVol 119.500 ml/mol McGowan Calculated Property
Pc 3513.74 kPa Joback Calculated Property
Tboil 481.95 K Relay (1.0) Calculated Property
Tfus 213.81 K Relay (1.0) Calculated Property

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 [235.59; 291.94] J/mol×K [504.97; 727.08] Show Hide
Cp,gas 235.59 J/mol×K 504.97 Joback Calculated Property
Cp,gas 246.76 J/mol×K 541.99 Joback Calculated Property
Cp,gas 257.19 J/mol×K 579.01 Joback Calculated Property
Cp,gas 266.91 J/mol×K 616.03 Joback Calculated Property
Cp,gas 275.92 J/mol×K 653.04 Joback Calculated Property
Cp,gas 284.26 J/mol×K 690.06 Joback Calculated Property
Cp,gas 291.94 J/mol×K 727.08 Joback Calculated Property
η [0.0002350; 0.0033875] Pa×s [278.59; 504.97] Show Hide
η 0.0033875 Pa×s 278.59 Joback Calculated Property
η 0.0016655 Pa×s 316.32 Joback Calculated Property
η 0.0009527 Pa×s 354.05 Joback Calculated Property
η 0.0006068 Pa×s 391.78 Joback Calculated Property
η 0.0004184 Pa×s 429.51 Joback Calculated Property
η 0.0003063 Pa×s 467.24 Joback Calculated Property
η 0.0002350 Pa×s 504.97 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 376.20 K 2.70 NIST

Similar Compounds

Formic acid, phenylmethyl ester. dibenzyl carbonate. Benzene, (methoxymethyl)-. Trifluoroacetic acid, benzyl ester. Formic acid, (4-methylphenyl)methyl ester. Benzylcarbamate. Acetic acid, phenylmethyl ester. Formic acid, (3-methylphenyl)methyl ester. Benzene, 1,1'-[oxybis(methylene)]bis-. Benzyl alcohol, chlorodifluoroacetate. BENZYL 2-BROMOACETATE. Hydrazinecarboxylic acid, phenylmethyl ester. «alpha»,«alpha»-Dimethoxy-m-xylene. Benzyl alcohol. Carbonic acid, O(1)-benzyl-O(2)-ethyl(ester).

Find more compounds similar to Benzyl chloroformate.

Sources

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