Chemical Properties of Benzamide, 2,4,5-trifluoro-3-methoxy-N-(3-methylbutyl)-

InChI

InChI=1S/C13H16F3NO2/c1-7(2)4-5-17-13(18)8-6-9(14)11(16)12(19-3)10(8)15/h6-7H,4-5H2,1-3H3,(H,17,18)

InChI Key

CQISMWWHTPJOEC-UHFFFAOYSA-N

Formula

C13H16F3NO2

SMILES

COc1c(F)c(F)cc(C(=O)NCCC(C)C)c1F

Molecular Weight¹

275.27

• 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).
• 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
ΔfG°	-598.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-905.94	kJ/mol	Joback Calculated Property
ΔfusH°	35.51	kJ/mol	Joback Calculated Property
ΔvapH°	62.21	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	2.888		Crippen Calculated Property
McVol	193.000	ml/mol	McGowan Calculated Property
Pc	1952.68	kPa	Joback Calculated Property
Inp	[1786.00; 1786.00]
Inp	1786.00		NIST
Inp	1786.00		NIST
Tboil	667.27	K	Joback Calculated Property
Tc	854.16	K	Joback Calculated Property
Tfus	424.36	K	Joback Calculated Property
Vc	0.762	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.96; 587.96]	J/mol×K	[667.27; 854.16]
Cp,gas	518.96	J/mol×K	667.27	Joback Calculated Property
Cp,gas	532.14	J/mol×K	698.42	Joback Calculated Property
Cp,gas	544.64	J/mol×K	729.57	Joback Calculated Property
Cp,gas	556.46	J/mol×K	760.72	Joback Calculated Property
Cp,gas	567.62	J/mol×K	791.86	Joback Calculated Property
Cp,gas	578.12	J/mol×K	823.01	Joback Calculated Property
Cp,gas	587.96	J/mol×K	854.16	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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