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

InChI

InChI=1S/C29H43F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-39-27(38)17-15-16-26(37)36-22-23-19-24(28(30,31)32)21-25(20-23)29(33,34)35/h19-21H,2-18,22H2,1H3,(H,36,37)

InChI Key

CPTQNBHCAQTPIC-UHFFFAOYSA-N

Formula

C29H43F6NO3

SMILES

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

Molecular Weight¹

567.65

• 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	1.3197		Relay (1.0) Calculated Property
ΔfG°	-1150.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-2084.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	77.27	kJ/mol	Joback Calculated Property
ΔvapH°	138.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-8.70		Relay (1.0) Calculated Property
logPoct/wat	9.145		Crippen Calculated Property
McVol	425.320	ml/mol	McGowan Calculated Property
Pc	688.53	kPa	Joback Calculated Property
Inp	[3165.00; 3165.00]
Inp	3165.00		NIST
Inp	3165.00		NIST
Tboil	711.42	K	Relay (1.0) Calculated Property
Tc	923.38	K	Relay (1.0) Calculated Property
Tfus	386.70	K	Relay (1.0) Calculated Property
Vc	1.595	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1503.77; 1606.38]	J/mol×K	[1069.05; 1341.75]
Cp,gas	1503.77	J/mol×K	1069.05	Joback Calculated Property
Cp,gas	1523.93	J/mol×K	1114.50	Joback Calculated Property
Cp,gas	1542.55	J/mol×K	1159.95	Joback Calculated Property
Cp,gas	1559.86	J/mol×K	1205.40	Joback Calculated Property
Cp,gas	1576.11	J/mol×K	1250.85	Joback Calculated Property
Cp,gas	1591.54	J/mol×K	1296.30	Joback Calculated Property
Cp,gas	1606.38	J/mol×K	1341.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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