Chemical Properties of Benzamide, 2,5-di(trifluoromethyl)-N-isobutyl-

InChI

InChI=1S/C13H13F6NO/c1-7(2)6-20-11(21)9-5-8(12(14,15)16)3-4-10(9)13(17,18)19/h3-5,7H,6H2,1-2H3,(H,20,21)

InChI Key

VETXVKNVUCBBJN-UHFFFAOYSA-N

Formula

C13H13F6NO

SMILES

CC(C)CNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

313.24

• 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	0.6512		Relay (1.0) Calculated Property
ΔfG°	-1053.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1483.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.52	kJ/mol	Joback Calculated Property
ΔvapH°	70.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	4.110		Crippen Calculated Property
McVol	192.440	ml/mol	McGowan Calculated Property
Pc	1869.17	kPa	Joback Calculated Property
Inp	[1439.00; 1439.00]
Inp	1439.00		NIST
Inp	1439.00		NIST
Tboil	528.35	K	Relay (1.0) Calculated Property
Tc	755.64	K	Relay (1.0) Calculated Property
Tfus	377.96	K	Relay (1.0) Calculated Property
Vc	0.720	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.58; 590.87]	J/mol×K	[626.24; 807.85]
Cp,gas	524.58	J/mol×K	626.24	Joback Calculated Property
Cp,gas	537.61	J/mol×K	656.51	Joback Calculated Property
Cp,gas	549.79	J/mol×K	686.78	Joback Calculated Property
Cp,gas	561.15	J/mol×K	717.05	Joback Calculated Property
Cp,gas	571.75	J/mol×K	747.32	Joback Calculated Property
Cp,gas	581.64	J/mol×K	777.58	Joback Calculated Property
Cp,gas	590.87	J/mol×K	807.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,5-di(trifluoromethyl)-N-isobutyl-.

Sources

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

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