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

InChI

InChI=1S/C29H47F4NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-24-34(23-18-6-4-2)28(35)25-21-20-22-26(27(25)30)29(31,32)33/h20-22H,3-19,23-24H2,1-2H3

InChI Key

AGKFMYXIYVIYDF-UHFFFAOYSA-N

Formula

C29H47F4NO

SMILES

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

Molecular Weight¹

501.68

• 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	1.2204		Relay (1.0) Calculated Property
ΔfG°	-508.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1314.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.66	kJ/mol	Joback Calculated Property
ΔvapH°	121.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-9.00		Relay (1.0) Calculated Property
logPoct/wat	9.958		Crippen Calculated Property
McVol	414.340	ml/mol	McGowan Calculated Property
Pc	692.16	kPa	Joback Calculated Property
Inp	[3370.00; 3370.00]
Inp	3370.00		NIST
Inp	3370.00		NIST
Tboil	695.67	K	Relay (1.0) Calculated Property
Tc	876.53	K	Relay (1.0) Calculated Property
Tfus	316.12	K	Relay (1.0) Calculated Property
Vc	1.558	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1424.20; 1537.29]	J/mol×K	[959.72; 1183.85]
Cp,gas	1424.20	J/mol×K	959.72	Joback Calculated Property
Cp,gas	1446.01	J/mol×K	997.08	Joback Calculated Property
Cp,gas	1466.46	J/mol×K	1034.43	Joback Calculated Property
Cp,gas	1485.67	J/mol×K	1071.79	Joback Calculated Property
Cp,gas	1503.80	J/mol×K	1109.14	Joback Calculated Property
Cp,gas	1520.96	J/mol×K	1146.50	Joback Calculated Property
Cp,gas	1537.29	J/mol×K	1183.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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