Chemical Properties of N-Cyclohexylformamide

InChI

InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)

InChI Key

SWGXDLRCJNEEGZ-UHFFFAOYSA-N

Formula

C7H13NO

SMILES

O=CNC1CCCCC1

Molecular Weight¹

127.19

Other Names

• Cyclohexylformamide
• Formamide, N-cyclohexyl-
• Formamidocyclohexane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	13.11	kJ/mol	Joback Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
logPoct/wat	1.065		Crippen Calculated Property
McVol	110.180	ml/mol	McGowan Calculated Property
Inp	1306.00		NIST
Tboil	502.09	K	Relay (1.0) Calculated Property
Tfus	[312.40; 312.65]	K
Tfus	312.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	312.40 ± 0.60	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[386.20; 418.50]	K	[2.00; 93.30]
Tboilr	418.50 ± 0.50	K	2.00	NIST
Tboilr	386.20	K	93.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.96; 393.21]	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			-5.88900e+01
Coefficient B			8.41600e-01
Coefficient C			-4.79600e-04
Coefficient D			9.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.96	J/mol×K	273.00	Calculated Property
Cp,gas	182.81	J/mol×K	353.78	Calculated Property
Cp,gas	223.66	J/mol×K	434.56	Calculated Property
Cp,gas	259.78	J/mol×K	515.33	Calculated Property
Cp,gas	291.46	J/mol×K	596.11	Calculated Property
Cp,gas	318.98	J/mol×K	676.89	Calculated Property
Cp,gas	342.63	J/mol×K	757.67	Calculated Property
Cp,gas	362.70	J/mol×K	838.44	Calculated Property
Cp,gas	379.46	J/mol×K	919.22	Calculated Property
Cp,gas	393.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-Cyclohexylformamide.

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)
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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