Chemical Properties of Benzamide, 2,4,5-trifluoro-3-methoxy-N-butyl-

InChI

InChI=1S/C12H14F3NO2/c1-3-4-5-16-12(17)7-6-8(13)10(15)11(18-2)9(7)14/h6H,3-5H2,1-2H3,(H,16,17)

InChI Key

XQTBTPRQVOQMRP-UHFFFAOYSA-N

Formula

C12H14F3NO2

SMILES

CCCCNC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

261.24

• 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	0.7091		Relay (1.0) Calculated Property
ΔfG°	-604.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-802.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.45	kJ/mol	Joback Calculated Property
ΔvapH°	76.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-4.01		Relay (1.0) Calculated Property
logPoct/wat	2.642		Crippen Calculated Property
McVol	178.910	ml/mol	McGowan Calculated Property
Pc	2113.89	kPa	Joback Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	553.16	K	Relay (1.0) Calculated Property
Tc	771.57	K	Relay (1.0) Calculated Property
Tfus	338.45	K	Relay (1.0) Calculated Property
Vc	0.659	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[467.45; 532.44]	J/mol×K	[644.83; 830.23]
Cp,gas	467.45	J/mol×K	644.83	Joback Calculated Property
Cp,gas	479.79	J/mol×K	675.73	Joback Calculated Property
Cp,gas	491.52	J/mol×K	706.63	Joback Calculated Property
Cp,gas	502.64	J/mol×K	737.53	Joback Calculated Property
Cp,gas	513.17	J/mol×K	768.43	Joback Calculated Property
Cp,gas	523.10	J/mol×K	799.33	Joback Calculated Property
Cp,gas	532.44	J/mol×K	830.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,4,5-trifluoro-3-methoxy-N-butyl-.

Sources

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

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