Chemical Properties of Cyclopentanecarboxamide, N-butyl-N-dodecyl-

InChI

InChI=1S/C22H43NO/c1-3-5-7-8-9-10-11-12-13-16-20-23(19-6-4-2)22(24)21-17-14-15-18-21/h21H,3-20H2,1-2H3

InChI Key

VWYLBVPVJWAQOG-UHFFFAOYSA-N

Formula

C22H43NO

SMILES

CCCCCCCCCCCCN(CCCC)C(=O)C1CCCC1

Molecular Weight¹

337.59

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	51.29	kJ/mol	Joback Calculated Property
ΔvapH°	101.27	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	6.726		Crippen Calculated Property
McVol	321.530	ml/mol	McGowan Calculated Property
Inp	[1460.00; 1460.00]
Inp	1460.00		NIST
Inp	1460.00		NIST
Tfus	294.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[455.39; 1164.67]	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			-8.09260e+01
Coefficient B			2.32144e+00
Coefficient C			-1.39430e-03
Coefficient D			3.18460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	455.39	J/mol×K	273.00	Calculated Property
Cp,gas	579.94	J/mol×K	353.78	Calculated Property
Cp,gas	690.70	J/mol×K	434.56	Calculated Property
Cp,gas	788.69	J/mol×K	515.33	Calculated Property
Cp,gas	874.91	J/mol×K	596.11	Calculated Property
Cp,gas	950.36	J/mol×K	676.89	Calculated Property
Cp,gas	1016.05	J/mol×K	757.67	Calculated Property
Cp,gas	1073.00	J/mol×K	838.44	Calculated Property
Cp,gas	1122.20	J/mol×K	919.22	Calculated Property
Cp,gas	1164.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxamide, N-butyl-N-dodecyl-.

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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