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

InChI

InChI=1S/C24H33F6NO3/c1-2-3-4-5-6-7-8-9-13-34-22(33)12-10-11-21(32)31-17-18-14-19(23(25,26)27)16-20(15-18)24(28,29)30/h14-16H,2-13,17H2,1H3,(H,31,32)

InChI Key

QMBRHDUTTTWWSF-UHFFFAOYSA-N

Formula

C24H33F6NO3

SMILES

CCCCCCCCCCOC(=O)CCCC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

Molecular Weight¹

497.51

• 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	1.1366		Relay (1.0) Calculated Property
ΔfG°	-1192.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1988.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.32	kJ/mol	Joback Calculated Property
ΔvapH°	118.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-7.36		Relay (1.0) Calculated Property
logPoct/wat	7.195		Crippen Calculated Property
McVol	354.870	ml/mol	McGowan Calculated Property
Pc	901.26	kPa	Joback Calculated Property
Inp	[2677.00; 2677.00]
Inp	2677.00		NIST
Inp	2677.00		NIST
Tboil	672.47	K	Relay (1.0) Calculated Property
Tc	886.00	K	Relay (1.0) Calculated Property
Tfus	381.55	K	Relay (1.0) Calculated Property
Vc	1.328	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1191.81; 1272.91]	J/mol×K	[954.65; 1171.94]
Cp,gas	1191.81	J/mol×K	954.65	Joback Calculated Property
Cp,gas	1207.83	J/mol×K	990.87	Joback Calculated Property
Cp,gas	1222.72	J/mol×K	1027.08	Joback Calculated Property
Cp,gas	1236.57	J/mol×K	1063.30	Joback Calculated Property
Cp,gas	1249.48	J/mol×K	1099.51	Joback Calculated Property
Cp,gas	1261.56	J/mol×K	1135.73	Joback Calculated Property
Cp,gas	1272.91	J/mol×K	1171.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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