Chemical Properties of Propylcarbamate (CAS 627-12-3)

InChI

InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)

InChI Key

YNTOKMNHRPSGFU-UHFFFAOYSA-N

Formula

C4H9NO2

SMILES

CCCOC(=N)O

Molecular Weight¹

103.12

CAS

627-12-3

Other Names

• Carbamic acid, propyl ester
• n-Propyl carbamate
• Propyl urethane
• Propylester kyseliny karbaminove

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_c : Critical 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 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	[52.61; 183.13]	J/mol×K	[100.12; 490.06]
Cp,gas	52.61	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.61	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.61	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.61	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.61	J/mol×K	100.12	Joback Calculated Property
Cp,gas	52.61	J/mol×K	100.12	Joback Calculated Property
Cp,gas	183.13	J/mol×K	490.06	Joback Calculated Property
ΔvapH	61.60	kJ/mol	396.50	NIST

Similar Compounds

Find more compounds similar to Propylcarbamate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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