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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.68; 329.91]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.10000e-02
Coefficient B			6.36900e-01
Coefficient C			-3.68400e-04
Coefficient D			6.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.68	J/mol×K	273.00	Calculated Property
Cp,gas	181.94	J/mol×K	353.78	Calculated Property
Cp,gas	212.25	J/mol×K	434.56	Calculated Property
Cp,gas	238.79	J/mol×K	515.33	Calculated Property
Cp,gas	261.77	J/mol×K	596.11	Calculated Property
Cp,gas	281.37	J/mol×K	676.89	Calculated Property
Cp,gas	297.79	J/mol×K	757.67	Calculated Property
Cp,gas	311.23	J/mol×K	838.44	Calculated Property
Cp,gas	321.87	J/mol×K	919.22	Calculated Property
Cp,gas	329.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033875; 0.0002290]	Pa×s	[278.59; 508.96]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16397e+01
Coefficient B			1.65818e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			278.59
Temperature range, max.			508.96
η	0.0033875	Pa×s	278.59	Calculated Property
η	0.0020529	Pa×s	304.19	Calculated Property
η	0.0013447	Pa×s	329.78	Calculated Property
η	0.0009361	Pa×s	355.38	Calculated Property
η	0.0006842	Pa×s	380.98	Calculated Property
η	0.0005202	Pa×s	406.57	Calculated Property
η	0.0004086	Pa×s	432.17	Calculated Property
η	0.0003297	Pa×s	457.76	Calculated Property
η	0.0002721	Pa×s	483.36	Calculated Property
η	0.0002290	Pa×s	508.96	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl chloroformate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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