Chemical Properties of Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, isobutyl ester

InChI

InChI=1S/C18H21F6NO3/c1-11(2)10-28-16(27)5-3-4-15(26)25-9-12-6-13(17(19,20)21)8-14(7-12)18(22,23)24/h6-8,11H,3-5,9-10H2,1-2H3,(H,25,26)

InChI Key

OGYPGGLCWDVDBX-UHFFFAOYSA-N

Formula

C18H21F6NO3

SMILES

CC(C)COC(=O)CCCC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Molecular Weight¹

413.35

• 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°	-1245.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1704.61	kJ/mol	Joback Calculated Property
ΔfusH°	45.25	kJ/mol	Joback Calculated Property
ΔvapH°	73.72	kJ/mol	Joback Calculated Property
log10WS	-5.91		Crippen Calculated Property
logPoct/wat	4.710		Crippen Calculated Property
McVol	270.330	ml/mol	McGowan Calculated Property
Pc	1325.20	kPa	Joback Calculated Property
Inp	[2090.00; 2090.00]
Inp	2090.00		NIST
Inp	2090.00		NIST
Tboil	816.93	K	Joback Calculated Property
Tc	1006.83	K	Joback Calculated Property
Tfus	512.21	K	Joback Calculated Property
Vc	1.081	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[838.03; 904.62]	J/mol×K	[816.93; 1006.83]
Cp,gas	838.03	J/mol×K	816.93	Joback Calculated Property
Cp,gas	851.21	J/mol×K	848.58	Joback Calculated Property
Cp,gas	863.47	J/mol×K	880.23	Joback Calculated Property
Cp,gas	874.89	J/mol×K	911.88	Joback Calculated Property
Cp,gas	885.52	J/mol×K	943.53	Joback Calculated Property
Cp,gas	895.41	J/mol×K	975.18	Joback Calculated Property
Cp,gas	904.62	J/mol×K	1006.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(3,5-di(trifluoromethyl)benzyl)-, isobutyl ester.

Sources

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

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