Chemical Properties of Cyclobutanecarboxamide, N,N-dihexyl-

InChI

InChI=1S/C17H33NO/c1-3-5-7-9-14-18(15-10-8-6-4-2)17(19)16-12-11-13-16/h16H,3-15H2,1-2H3

InChI Key

YDNRDDVTKFLGOD-UHFFFAOYSA-N

Formula

C17H33NO

SMILES

CCCCCCN(CCCCCC)C(=O)C1CCC1

Molecular Weight¹

267.45

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.44	kJ/mol	Joback Calculated Property
ΔvapH°	80.72	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.776		Crippen Calculated Property
McVol	251.080	ml/mol	McGowan Calculated Property
Inp	[1925.00; 1925.00]
Inp	1925.00		NIST
Inp	1925.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[354.21; 904.94]	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			-7.12600e+01
Coefficient B			1.85604e+00
Coefficient C			-1.16870e-03
Coefficient D			2.88860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.21	J/mol×K	273.00	Calculated Property
Cp,gas	451.88	J/mol×K	353.78	Calculated Property
Cp,gas	538.30	J/mol×K	434.56	Calculated Property
Cp,gas	614.38	J/mol×K	515.33	Calculated Property
Cp,gas	681.04	J/mol×K	596.11	Calculated Property
Cp,gas	739.19	J/mol×K	676.89	Calculated Property
Cp,gas	789.74	J/mol×K	757.67	Calculated Property
Cp,gas	833.60	J/mol×K	838.44	Calculated Property
Cp,gas	871.70	J/mol×K	919.22	Calculated Property
Cp,gas	904.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxamide, N,N-dihexyl-.

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

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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