Chemical Properties of Benzamide, 3-fluoro-5-trifluoromethyl-N-isobutyl-

InChI

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

InChI Key

VVCIPXUQNJUWQC-UHFFFAOYSA-N

Formula

C12H13F4NO

SMILES

CC(C)CNC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

263.23

• 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	0.6016		Relay (1.0) Calculated Property
ΔfG°	-675.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1042.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.18	kJ/mol	Joback Calculated Property
ΔvapH°	67.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-4.24		Relay (1.0) 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	[1479.00; 1479.00]
Inp	1479.00		NIST
Inp	1479.00		NIST
Tboil	523.01	K	Relay (1.0) Calculated Property
Tc	737.14	K	Relay (1.0) Calculated Property
Tfus	347.07	K	Relay (1.0) Calculated Property
Vc	0.634	m3/kmol	Relay (1.0) 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-fluoro-5-trifluoromethyl-N-isobutyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.