Chemical Properties of Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-octyl-

InChI

InChI=1S/C21H31F4NO/c1-3-5-7-8-9-11-16-26(15-10-6-4-2)20(27)17-13-12-14-18(19(17)22)21(23,24)25/h12-14H,3-11,15-16H2,1-2H3

InChI Key

ZCGJJMNRMGBSCK-UHFFFAOYSA-N

Formula

C21H31F4NO

SMILES

CCCCCCCCN(CCCCC)C(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

389.47

• 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°	-575.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1101.42	kJ/mol	Joback Calculated Property
ΔfusH°	52.93	kJ/mol	Joback Calculated Property
ΔvapH°	70.17	kJ/mol	Joback Calculated Property
log10WS	-7.66		Crippen Calculated Property
logPoct/wat	6.837		Crippen Calculated Property
McVol	301.620	ml/mol	McGowan Calculated Property
Pc	1087.06	kPa	Joback Calculated Property
Inp	[2746.00; 2746.00]
Inp	2746.00		NIST
Inp	2746.00		NIST
Tboil	776.68	K	Joback Calculated Property
Tc	957.10	K	Joback Calculated Property
Tfus	465.07	K	Joback Calculated Property
Vc	1.188	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[928.01; 1017.69]	J/mol×K	[776.68; 957.10]
Cp,gas	928.01	J/mol×K	776.68	Joback Calculated Property
Cp,gas	945.17	J/mol×K	806.75	Joback Calculated Property
Cp,gas	961.38	J/mol×K	836.82	Joback Calculated Property
Cp,gas	976.67	J/mol×K	866.89	Joback Calculated Property
Cp,gas	991.12	J/mol×K	896.96	Joback Calculated Property
Cp,gas	1004.77	J/mol×K	927.03	Joback Calculated Property
Cp,gas	1017.69	J/mol×K	957.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2-fluoro-3-trifluoromethyl-N-pentyl-N-octyl-.

Sources

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

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