Chemical Properties of Benzamide, 3-trifluoromethyl-2-fluoro-N-isobutyl-

InChI

InChI=1S/C12H13F4NO/c1-7(2)6-17-11(18)8-4-3-5-9(10(8)13)12(14,15)16/h3-5,7H,6H2,1-2H3,(H,17,18)

InChI Key

QVVDHNOQHKKWMX-UHFFFAOYSA-N

Formula

C12H13F4NO

SMILES

CC(C)CNC(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

263.23

• 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°	-675.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-935.00	kJ/mol	Joback Calculated Property
ΔfusH°	28.18	kJ/mol	Joback Calculated Property
ΔvapH°	54.14	kJ/mol	Joback Calculated Property
log10WS	-4.27		Crippen Calculated Property
logPoct/wat	3.230		Crippen Calculated Property
McVol	174.810	ml/mol	McGowan Calculated Property
Pc	2171.40	kPa	Joback Calculated Property
Inp	[1482.00; 1482.00]
Inp	1482.00		NIST
Inp	1482.00		NIST
Tboil	608.05	K	Joback Calculated Property
Tc	797.38	K	Joback Calculated Property
Tfus	368.83	K	Joback Calculated Property
Vc	0.696	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[455.31; 522.58]	J/mol×K	[608.05; 797.38]
Cp,gas	455.31	J/mol×K	608.05	Joback Calculated Property
Cp,gas	468.42	J/mol×K	639.60	Joback Calculated Property
Cp,gas	480.73	J/mol×K	671.16	Joback Calculated Property
Cp,gas	492.26	J/mol×K	702.71	Joback Calculated Property
Cp,gas	503.05	J/mol×K	734.27	Joback Calculated Property
Cp,gas	513.14	J/mol×K	765.82	Joback Calculated Property
Cp,gas	522.58	J/mol×K	797.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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