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

InChI

InChI=1S/C25H35F6NO3/c1-2-3-4-5-6-7-8-9-10-14-35-23(34)13-11-12-22(33)32-18-19-15-20(24(26,27)28)17-21(16-19)25(29,30)31/h15-17H,2-14,18H2,1H3,(H,32,33)

InChI Key

JIKSORHWBCNMMQ-UHFFFAOYSA-N

Formula

C25H35F6NO3

SMILES

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

Molecular Weight¹

511.54

• 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	1.1736		Relay (1.0) Calculated Property
ΔfG°	-1183.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-2008.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.91	kJ/mol	Joback Calculated Property
ΔvapH°	122.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-7.64		Relay (1.0) Calculated Property
logPoct/wat	7.585		Crippen Calculated Property
McVol	368.960	ml/mol	McGowan Calculated Property
Pc	851.47	kPa	Joback Calculated Property
Inp	[2764.00; 2764.00]
Inp	2764.00		NIST
Inp	2764.00		NIST
Tboil	680.62	K	Relay (1.0) Calculated Property
Tc	893.74	K	Relay (1.0) Calculated Property
Tfus	382.26	K	Relay (1.0) Calculated Property
Vc	1.382	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1253.16; 1337.57]	J/mol×K	[977.53; 1203.19]
Cp,gas	1253.16	J/mol×K	977.53	Joback Calculated Property
Cp,gas	1269.85	J/mol×K	1015.14	Joback Calculated Property
Cp,gas	1285.33	J/mol×K	1052.75	Joback Calculated Property
Cp,gas	1299.72	J/mol×K	1090.36	Joback Calculated Property
Cp,gas	1313.15	J/mol×K	1127.97	Joback Calculated Property
Cp,gas	1325.72	J/mol×K	1165.58	Joback Calculated Property
Cp,gas	1337.57	J/mol×K	1203.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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