Chemical Properties of Benzamide, N,N-diheptyl-4-trifluoromethyl-

InChI

InChI=1S/C22H34F3NO/c1-3-5-7-9-11-17-26(18-12-10-8-6-4-2)21(27)19-13-15-20(16-14-19)22(23,24)25/h13-16H,3-12,17-18H2,1-2H3

InChI Key

NJMKGYHMDRYALN-UHFFFAOYSA-N

Formula

C22H34F3NO

SMILES

CCCCCCCN(CCCCCCC)C(=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

385.51

• 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°	52.83	kJ/mol	Joback Calculated Property
ΔvapH°	95.61	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	7.088		Crippen Calculated Property
McVol	313.940	ml/mol	McGowan Calculated Property
Inp	[2288.00; 2288.00]
Inp	2288.00		NIST
Inp	2288.00		NIST
Tfus	324.11	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	[457.05; 1082.49]	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			-4.62480e+01
Coefficient B			2.21254e+00
Coefficient C			-1.45206e-03
Coefficient D			3.68260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	457.05	J/mol×K	273.00	Calculated Property
Cp,gas	571.07	J/mol×K	353.78	Calculated Property
Cp,gas	671.24	J/mol×K	434.56	Calculated Property
Cp,gas	758.72	J/mol×K	515.33	Calculated Property
Cp,gas	834.69	J/mol×K	596.11	Calculated Property
Cp,gas	900.30	J/mol×K	676.89	Calculated Property
Cp,gas	956.72	J/mol×K	757.67	Calculated Property
Cp,gas	1005.12	J/mol×K	838.44	Calculated Property
Cp,gas	1046.65	J/mol×K	919.22	Calculated Property
Cp,gas	1082.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N,N-diheptyl-4-trifluoromethyl-.

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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