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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : 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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.65; 357.61]	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			-6.38900e+00
Coefficient B			6.92000e-01
Coefficient C			-3.91400e-04
Coefficient D			6.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.65	J/mol×K	273.00	Calculated Property
Cp,gas	192.25	J/mol×K	353.78	Calculated Property
Cp,gas	225.61	J/mol×K	434.56	Calculated Property
Cp,gas	254.95	J/mol×K	515.33	Calculated Property
Cp,gas	280.47	J/mol×K	596.11	Calculated Property
Cp,gas	302.35	J/mol×K	676.89	Calculated Property
Cp,gas	320.81	J/mol×K	757.67	Calculated Property
Cp,gas	336.03	J/mol×K	838.44	Calculated Property
Cp,gas	348.24	J/mol×K	919.22	Calculated Property
Cp,gas	357.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzylcarbamate.

Sources

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

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