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

InChI

InChI=1S/C26H37F6NO3/c1-2-3-4-5-6-7-8-9-10-11-15-36-24(35)14-12-13-23(34)33-19-20-16-21(25(27,28)29)18-22(17-20)26(30,31)32/h16-18H,2-15,19H2,1H3,(H,33,34)

InChI Key

NGNKPQYCJSKTJO-UHFFFAOYSA-N

Formula

C26H37F6NO3

SMILES

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

Molecular Weight¹

525.57

• 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	1.2105		Relay (1.0) Calculated Property
ΔfG°	-1175.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-2028.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.50	kJ/mol	Joback Calculated Property
ΔvapH°	126.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-7.90		Relay (1.0) Calculated Property
logPoct/wat	7.975		Crippen Calculated Property
McVol	383.050	ml/mol	McGowan Calculated Property
Pc	805.70	kPa	Joback Calculated Property
Inp	[2859.00; 2859.00]
Inp	2859.00		NIST
Inp	2859.00		NIST
Tboil	688.56	K	Relay (1.0) Calculated Property
Tc	901.31	K	Relay (1.0) Calculated Property
Tfus	383.08	K	Relay (1.0) Calculated Property
Vc	1.435	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1315.06; 1403.18]	J/mol×K	[1000.41; 1235.69]
Cp,gas	1315.06	J/mol×K	1000.41	Joback Calculated Property
Cp,gas	1332.49	J/mol×K	1039.62	Joback Calculated Property
Cp,gas	1348.63	J/mol×K	1078.84	Joback Calculated Property
Cp,gas	1363.63	J/mol×K	1118.05	Joback Calculated Property
Cp,gas	1377.63	J/mol×K	1157.26	Joback Calculated Property
Cp,gas	1390.76	J/mol×K	1196.47	Joback Calculated Property
Cp,gas	1403.18	J/mol×K	1235.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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