Chemical Properties of Benzamide, 2-(trifluoromethyl)-N-dodecyl-

InChI

InChI=1S/C20H30F3NO/c1-2-3-4-5-6-7-8-9-10-13-16-24-19(25)17-14-11-12-15-18(17)20(21,22)23/h11-12,14-15H,2-10,13,16H2,1H3,(H,24,25)

InChI Key

WJVDZOAKEKAFMR-UHFFFAOYSA-N

Formula

C20H30F3NO

SMILES

CCCCCCCCCCCCNC(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

357.46

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.73	kJ/mol	Joback Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-6.48		Relay (1.0) Calculated Property
logPoct/wat	6.356		Crippen Calculated Property
McVol	285.760	ml/mol	McGowan Calculated Property
Pc	1220.85	kPa	Joback Calculated Property
Inp	[2406.00; 2406.00]
Inp	2406.00		NIST
Inp	2406.00		NIST
Tfus	326.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[415.30; 978.17]	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			-3.49490e+01
Coefficient B			1.97482e+00
Coefficient C			-1.27926e-03
Coefficient D			3.17560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	415.30	J/mol×K	273.00	Calculated Property
Cp,gas	517.65	J/mol×K	353.78	Calculated Property
Cp,gas	607.71	J/mol×K	434.56	Calculated Property
Cp,gas	686.47	J/mol×K	515.33	Calculated Property
Cp,gas	754.95	J/mol×K	596.11	Calculated Property
Cp,gas	814.14	J/mol×K	676.89	Calculated Property
Cp,gas	865.06	J/mol×K	757.67	Calculated Property
Cp,gas	908.70	J/mol×K	838.44	Calculated Property
Cp,gas	946.07	J/mol×K	919.22	Calculated Property
Cp,gas	978.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-(trifluoromethyl)-N-dodecyl-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.