Chemical Properties of 4-Fluoro-2-trifluoromethylbenzamide, N,N-dihexyl-

InChI

InChI=1S/C20H29F4NO/c1-3-5-7-9-13-25(14-10-8-6-4-2)19(26)17-12-11-16(21)15-18(17)20(22,23)24/h11-12,15H,3-10,13-14H2,1-2H3

InChI Key

XBQRDBWEOWBKKT-UHFFFAOYSA-N

Formula

C20H29F4NO

SMILES

CCCCCCN(CCCCCC)C(=O)c1ccc(F)cc1C(F)(F)F

Molecular Weight¹

375.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-583.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1080.78	kJ/mol	Joback Calculated Property
ΔfusH°	50.34	kJ/mol	Joback Calculated Property
ΔvapH°	67.94	kJ/mol	Joback Calculated Property
log10WS	-7.24		Crippen Calculated Property
logPoct/wat	6.447		Crippen Calculated Property
McVol	287.530	ml/mol	McGowan Calculated Property
Pc	1159.29	kPa	Joback Calculated Property
Inp	[2108.00; 2108.00]
Inp	2108.00		NIST
Inp	2108.00		NIST
Tboil	753.80	K	Joback Calculated Property
Tc	932.48	K	Joback Calculated Property
Tfus	453.80	K	Joback Calculated Property
Vc	1.133	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[869.38; 957.15]	J/mol×K	[753.80; 932.48]
Cp,gas	869.38	J/mol×K	753.80	Joback Calculated Property
Cp,gas	886.18	J/mol×K	783.58	Joback Calculated Property
Cp,gas	902.04	J/mol×K	813.36	Joback Calculated Property
Cp,gas	917.02	J/mol×K	843.14	Joback Calculated Property
Cp,gas	931.16	J/mol×K	872.92	Joback Calculated Property
Cp,gas	944.52	J/mol×K	902.70	Joback Calculated Property
Cp,gas	957.15	J/mol×K	932.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzamide, N,N-dihexyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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