Chemical Properties of Formamide, N-(cyanomethyl)- (CAS 5018-27-9)

InChI

InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)

InChI Key

HHENWUYAOCBSAE-UHFFFAOYSA-N

Formula

C3H4N2O

SMILES

N#CCNC=O

Molecular Weight¹

84.08

CAS

5018-27-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[91.60; 178.25]	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			2.73510e+01
Coefficient B			2.74300e-01
Coefficient C			-1.50000e-04
Coefficient D			2.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	91.60	J/mol×K	273.00	Calculated Property
Cp,gas	106.80	J/mol×K	353.78	Calculated Property
Cp,gas	120.41	J/mol×K	434.56	Calculated Property
Cp,gas	132.51	J/mol×K	515.33	Calculated Property
Cp,gas	143.20	J/mol×K	596.11	Calculated Property
Cp,gas	152.54	J/mol×K	676.89	Calculated Property
Cp,gas	160.64	J/mol×K	757.67	Calculated Property
Cp,gas	167.57	J/mol×K	838.44	Calculated Property
Cp,gas	173.41	J/mol×K	919.22	Calculated Property
Cp,gas	178.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Formamide, N-(cyanomethyl)-.

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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