Chemical Properties of 3-Fluoro-5-trifluoromethylbenzamide, N,N-di(2-ethylhexyl)-

InChI

InChI=1S/C24H37F4NO/c1-5-9-11-18(7-3)16-29(17-19(8-4)12-10-6-2)23(30)20-13-21(24(26,27)28)15-22(25)14-20/h13-15,18-19H,5-12,16-17H2,1-4H3

InChI Key

QOBCNXAARRCMRP-UHFFFAOYSA-N

Formula

C24H37F4NO

SMILES

CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

431.55

• 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	0.9232		Relay (1.0) Calculated Property
ΔfG°	-555.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1268.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.66	kJ/mol	Joback Calculated Property
ΔvapH°	94.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-7.63		Relay (1.0) Calculated Property
logPoct/wat	7.720		Crippen Calculated Property
McVol	343.890	ml/mol	McGowan Calculated Property
Pc	915.50	kPa	Joback Calculated Property
Inp	[2171.00; 2171.00]
Inp	2171.00		NIST
Inp	2171.00		NIST
Tboil	653.22	K	Relay (1.0) Calculated Property
Tc	832.17	K	Relay (1.0) Calculated Property
Tfus	293.43	K	Relay (1.0) Calculated Property
Vc	1.242	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1109.87; 1206.02]	J/mol×K	[844.44; 1035.03]
Cp,gas	1109.87	J/mol×K	844.44	Joback Calculated Property
Cp,gas	1128.38	J/mol×K	876.21	Joback Calculated Property
Cp,gas	1145.80	J/mol×K	907.97	Joback Calculated Property
Cp,gas	1162.20	J/mol×K	939.74	Joback Calculated Property
Cp,gas	1177.66	J/mol×K	971.50	Joback Calculated Property
Cp,gas	1192.24	J/mol×K	1003.27	Joback Calculated Property
Cp,gas	1206.02	J/mol×K	1035.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzamide, N,N-di(2-ethylhexyl)-.

Sources

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

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