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

InChI

InChI=1S/C23H35F4NO/c1-3-5-7-8-9-10-11-13-18-28(17-12-6-4-2)22(29)19-15-14-16-20(21(19)24)23(25,26)27/h14-16H,3-13,17-18H2,1-2H3

InChI Key

PNUKYXIDTGVUJO-UHFFFAOYSA-N

Formula

C23H35F4NO

SMILES

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

Molecular Weight¹

417.52

• 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	1.0045		Relay (1.0) Calculated Property
ΔfG°	-558.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1192.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.12	kJ/mol	Joback Calculated Property
ΔvapH°	97.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-7.34		Relay (1.0) Calculated Property
logPoct/wat	7.618		Crippen Calculated Property
McVol	329.800	ml/mol	McGowan Calculated Property
Pc	961.48	kPa	Joback Calculated Property
Inp	[2987.00; 2987.00]
Inp	2987.00		NIST
Inp	2987.00		NIST
Tboil	651.30	K	Relay (1.0) Calculated Property
Tc	828.55	K	Relay (1.0) Calculated Property
Tfus	302.72	K	Relay (1.0) Calculated Property
Vc	1.234	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1047.84; 1141.71]	J/mol×K	[822.44; 1008.42]
Cp,gas	1047.84	J/mol×K	822.44	Joback Calculated Property
Cp,gas	1065.82	J/mol×K	853.44	Joback Calculated Property
Cp,gas	1082.79	J/mol×K	884.43	Joback Calculated Property
Cp,gas	1098.79	J/mol×K	915.43	Joback Calculated Property
Cp,gas	1113.91	J/mol×K	946.43	Joback Calculated Property
Cp,gas	1128.19	J/mol×K	977.42	Joback Calculated Property
Cp,gas	1141.71	J/mol×K	1008.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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