Chemical Properties of 3-Fluoro-5-trifluoromethylbenzamide, N-pentyl-

InChI

InChI=1S/C13H15F4NO/c1-2-3-4-5-18-12(19)9-6-10(13(15,16)17)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,18,19)

InChI Key

JTXXXUWOEIZCNY-UHFFFAOYSA-N

Formula

C13H15F4NO

SMILES

CCCCCNC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

277.26

• 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	0.6756		Relay (1.0) Calculated Property
ΔfG°	-664.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1041.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.29	kJ/mol	Joback Calculated Property
ΔvapH°	72.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	3.764		Crippen Calculated Property
McVol	188.900	ml/mol	McGowan Calculated Property
Pc	1975.31	kPa	Joback Calculated Property
Inp	[1595.00; 1595.00]
Inp	1595.00		NIST
Inp	1595.00		NIST
Tboil	544.57	K	Relay (1.0) Calculated Property
Tc	761.44	K	Relay (1.0) Calculated Property
Tfus	327.14	K	Relay (1.0) Calculated Property
Vc	0.690	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.81; 573.85]	J/mol×K	[631.37; 815.64]
Cp,gas	504.81	J/mol×K	631.37	Joback Calculated Property
Cp,gas	518.17	J/mol×K	662.08	Joback Calculated Property
Cp,gas	530.75	J/mol×K	692.79	Joback Calculated Property
Cp,gas	542.57	J/mol×K	723.50	Joback Calculated Property
Cp,gas	553.66	J/mol×K	754.22	Joback Calculated Property
Cp,gas	564.08	J/mol×K	784.93	Joback Calculated Property
Cp,gas	573.85	J/mol×K	815.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzamide, N-pentyl-.

Sources

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

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