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

• BZCF
• Benzyl carbonochloridate
• Benzyl chlorocarbonate
• Benzylcarbonyl chloride
• Benzyloxycarbonyl chloride
• Carbobenzoxy chloride
• Carbobenzyloxy chloride
• Carbonochloridic acid, phenylmethyl ester
• Cbz chloride
• Chloroformic acid, benzyl ester
• Chloroformic acid, phenylmethyl ester
• Formic acid, chloro-, benzyl ester
• NSC 83466
• UN 1739

• 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	[0.0061610; 0.0002290]	Pa×s	[253.15; 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.			253.15
Temperature range, max.			508.96
η	0.0061610	Pa×s	253.15	Calculated Property
η	0.0031805	Pa×s	281.57	Calculated Property
η	0.0018535	Pa×s	310.00	Calculated Property
η	0.0011827	Pa×s	338.42	Calculated Property
η	0.0008091	Pa×s	366.84	Calculated Property
η	0.0005846	Pa×s	395.27	Calculated Property
η	0.0004412	Pa×s	423.69	Calculated Property
η	0.0003450	Pa×s	452.11	Calculated Property
η	0.0002777	Pa×s	480.53	Calculated Property
η	0.0002290	Pa×s	508.96	Calculated Property

Similar Compounds

Find more compounds similar to Benzyl chloroformate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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