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

InChI

InChI=1S/C17H19F6NO3/c1-2-6-27-15(26)5-3-4-14(25)24-10-11-7-12(16(18,19)20)9-13(8-11)17(21,22)23/h7-9H,2-6,10H2,1H3,(H,24,25)

InChI Key

CTHYLPKCJVEDIB-UHFFFAOYSA-N

Formula

C17H19F6NO3

SMILES

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

Molecular Weight¹

399.33

• 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	0.8696		Relay (1.0) Calculated Property
ΔfG°	-1251.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-1853.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.19	kJ/mol	Joback Calculated Property
ΔvapH°	93.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	4.464		Crippen Calculated Property
McVol	256.240	ml/mol	McGowan Calculated Property
Pc	1414.37	kPa	Joback Calculated Property
Inp	[2042.00; 2042.00]
Inp	2042.00		NIST
Inp	2042.00		NIST
Tboil	608.63	K	Relay (1.0) Calculated Property
Tc	821.47	K	Relay (1.0) Calculated Property
Tfus	384.13	K	Relay (1.0) Calculated Property
Vc	0.955	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.17; 845.52]	J/mol×K	[794.49; 981.40]
Cp,gas	781.17	J/mol×K	794.49	Joback Calculated Property
Cp,gas	793.87	J/mol×K	825.64	Joback Calculated Property
Cp,gas	805.71	J/mol×K	856.79	Joback Calculated Property
Cp,gas	816.75	J/mol×K	887.95	Joback Calculated Property
Cp,gas	827.03	J/mol×K	919.10	Joback Calculated Property
Cp,gas	836.60	J/mol×K	950.25	Joback Calculated Property
Cp,gas	845.52	J/mol×K	981.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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