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

InChI

InChI=1S/C20H17F6NO4/c1-8(2)7-27(19(28)9-5-11(21)15(25)17(30-3)13(9)23)20(29)10-6-12(22)16(26)18(31-4)14(10)24/h5-6,8H,7H2,1-4H3

InChI Key

CCOOBSOUNGIMDX-UHFFFAOYSA-N

Formula

C20H17F6NO4

SMILES

COc1c(F)c(F)cc(C(=O)N(CC(C)C)C(=O)c2cc(F)c(F)c(OC)c2F)c1F

Molecular Weight¹

449.34

• 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°	-1263.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1678.84	kJ/mol	Joback Calculated Property
ΔfusH°	56.08	kJ/mol	Joback Calculated Property
ΔvapH°	85.03	kJ/mol	Joback Calculated Property
log10WS	-6.83		Crippen Calculated Property
logPoct/wat	4.477		Crippen Calculated Property
McVol	280.620	ml/mol	McGowan Calculated Property
Pc	1305.17	kPa	Joback Calculated Property
Inp	[2184.00; 2184.00]
Inp	2184.00		NIST
Inp	2184.00		NIST
Tboil	910.40	K	Joback Calculated Property
Tc	1116.59	K	Joback Calculated Property
Tfus	633.49	K	Joback Calculated Property
Vc	1.107	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[858.42; 909.89]	J/mol×K	[910.40; 1116.59]
Cp,gas	858.42	J/mol×K	910.40	Joback Calculated Property
Cp,gas	869.84	J/mol×K	944.77	Joback Calculated Property
Cp,gas	880.12	J/mol×K	979.13	Joback Calculated Property
Cp,gas	889.25	J/mol×K	1013.50	Joback Calculated Property
Cp,gas	897.26	J/mol×K	1047.86	Joback Calculated Property
Cp,gas	904.14	J/mol×K	1082.23	Joback Calculated Property
Cp,gas	909.89	J/mol×K	1116.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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