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

InChI

InChI=1S/C17H23F4NO/c1-3-5-7-12-22(11-6-4-2)16(23)13-9-8-10-14(15(13)18)17(19,20)21/h8-10H,3-7,11-12H2,1-2H3

InChI Key

QLMRJELCFMANJF-UHFFFAOYSA-N

Formula

C17H23F4NO

SMILES

CCCCCN(CCCC)C(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

333.36

• ω : Acentric Factor.
• 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).
• 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_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
ω	0.7768		Relay (1.0) Calculated Property
ΔfG°	-609.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1073.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.57	kJ/mol	Joback Calculated Property
ΔvapH°	76.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-5.38		Relay (1.0) Calculated Property
logPoct/wat	5.277		Crippen Calculated Property
McVol	245.260	ml/mol	McGowan Calculated Property
Pc	1425.07	kPa	Joback Calculated Property
Inp	[2135.00; 2135.00]
Inp	2135.00		NIST
Inp	2135.00		NIST
Tboil	592.30	K	Relay (1.0) Calculated Property
Tc	767.85	K	Relay (1.0) Calculated Property
Tfus	287.86	K	Relay (1.0) Calculated Property
Vc	0.909	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.40; 781.56]	J/mol×K	[685.16; 862.10]
Cp,gas	699.40	J/mol×K	685.16	Joback Calculated Property
Cp,gas	715.16	J/mol×K	714.65	Joback Calculated Property
Cp,gas	730.03	J/mol×K	744.14	Joback Calculated Property
Cp,gas	744.06	J/mol×K	773.63	Joback Calculated Property
Cp,gas	757.30	J/mol×K	803.12	Joback Calculated Property
Cp,gas	769.78	J/mol×K	832.61	Joback Calculated Property
Cp,gas	781.56	J/mol×K	862.10	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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