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

InChI

InChI=1S/C22H29F6NO3/c1-2-3-4-5-6-7-11-32-20(31)10-8-9-19(30)29-15-16-12-17(21(23,24)25)14-18(13-16)22(26,27)28/h12-14H,2-11,15H2,1H3,(H,29,30)

InChI Key

VTWSZMCDPRDEOK-UHFFFAOYSA-N

Formula

C22H29F6NO3

SMILES

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

Molecular Weight¹

469.46

• 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	1.0621		Relay (1.0) Calculated Property
ΔfG°	-1209.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1949.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.14	kJ/mol	Joback Calculated Property
ΔvapH°	110.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-6.77		Relay (1.0) Calculated Property
logPoct/wat	6.414		Crippen Calculated Property
McVol	326.690	ml/mol	McGowan Calculated Property
Pc	1014.89	kPa	Joback Calculated Property
Inp	[2494.00; 2494.00]
Inp	2494.00		NIST
Inp	2494.00		NIST
Tboil	655.54	K	Relay (1.0) Calculated Property
Tc	869.73	K	Relay (1.0) Calculated Property
Tfus	379.67	K	Relay (1.0) Calculated Property
Vc	1.220	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1070.90; 1146.34]	J/mol×K	[908.89; 1112.85]
Cp,gas	1070.90	J/mol×K	908.89	Joback Calculated Property
Cp,gas	1085.78	J/mol×K	942.88	Joback Calculated Property
Cp,gas	1099.64	J/mol×K	976.88	Joback Calculated Property
Cp,gas	1112.54	J/mol×K	1010.87	Joback Calculated Property
Cp,gas	1124.57	J/mol×K	1044.87	Joback Calculated Property
Cp,gas	1135.81	J/mol×K	1078.86	Joback Calculated Property
Cp,gas	1146.34	J/mol×K	1112.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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