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

InChI

InChI=1S/C22H33F4NO/c1-3-5-7-8-9-10-12-17-27(16-11-6-4-2)21(28)18-14-13-15-19(20(18)23)22(24,25)26/h13-15H,3-12,16-17H2,1-2H3

InChI Key

IFFVBYLODBEZDK-UHFFFAOYSA-N

Formula

C22H33F4NO

SMILES

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

Molecular Weight¹

403.50

• 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°	-567.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1122.06	kJ/mol	Joback Calculated Property
ΔfusH°	55.52	kJ/mol	Joback Calculated Property
ΔvapH°	72.39	kJ/mol	Joback Calculated Property
log10WS	-8.07		Crippen Calculated Property
logPoct/wat	7.228		Crippen Calculated Property
McVol	315.710	ml/mol	McGowan Calculated Property
Pc	1021.38	kPa	Joback Calculated Property
Inp	[2882.00; 2882.00]
Inp	2882.00		NIST
Inp	2882.00		NIST
Tboil	799.56	K	Joback Calculated Property
Tc	982.39	K	Joback Calculated Property
Tfus	476.34	K	Joback Calculated Property
Vc	1.244	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[987.51; 1079.21]	J/mol×K	[799.56; 982.39]
Cp,gas	987.51	J/mol×K	799.56	Joback Calculated Property
Cp,gas	1005.07	J/mol×K	830.03	Joback Calculated Property
Cp,gas	1021.64	J/mol×K	860.50	Joback Calculated Property
Cp,gas	1037.28	J/mol×K	890.98	Joback Calculated Property
Cp,gas	1052.05	J/mol×K	921.45	Joback Calculated Property
Cp,gas	1066.01	J/mol×K	951.92	Joback Calculated Property
Cp,gas	1079.21	J/mol×K	982.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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