Chemical Properties of Hexanamide, N-cyclohexyl

InChI

InChI=1S/C12H23NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h11H,2-10H2,1H3,(H,13,14)

InChI Key

BSUQYCXDASMZBB-UHFFFAOYSA-N

Formula

C12H23NO

SMILES

CCCCCC(=O)NC1CCCCC1

Molecular Weight¹

197.32

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-402.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.37	kJ/mol	Joback Calculated Property
ΔvapH°	76.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	3.016		Crippen Calculated Property
McVol	180.630	ml/mol	McGowan Calculated Property
Pc	2291.52	kPa	Joback Calculated Property
Inp	[1645.00; 1645.00]
Inp	1645.00		NIST
Inp	1645.00		NIST
Tboil	549.96	K	Relay (1.0) Calculated Property
Tc	776.20	K	Relay (1.0) Calculated Property
Tfus	302.43	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.04; 649.40]	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			-6.74760e+01
Coefficient B			1.31412e+00
Coefficient C			-7.39900e-04
Coefficient D			1.42660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.04	J/mol×K	273.00	Calculated Property
Cp,gas	311.14	J/mol×K	353.78	Calculated Property
Cp,gas	375.57	J/mol×K	434.56	Calculated Property
Cp,gas	432.76	J/mol×K	515.33	Calculated Property
Cp,gas	483.18	J/mol×K	596.11	Calculated Property
Cp,gas	527.27	J/mol×K	676.89	Calculated Property
Cp,gas	565.49	J/mol×K	757.67	Calculated Property
Cp,gas	598.29	J/mol×K	838.44	Calculated Property
Cp,gas	626.11	J/mol×K	919.22	Calculated Property
Cp,gas	649.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexanamide, N-cyclohexyl.

Sources

• 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.
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