Chemical Properties of Glutaric acid, heptyl 4-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C20H27F3O4/c1-2-3-4-5-6-14-26-18(24)8-7-9-19(25)27-15-16-10-12-17(13-11-16)20(21,22)23/h10-13H,2-9,14-15H2,1H3

InChI Key

MIHJXGQMKTVALD-UHFFFAOYSA-N

Formula

C20H27F3O4

SMILES

CCCCCCCOC(=O)CCCC(=O)OCc1ccc(C(F)(F)F)cc1

Molecular Weight¹

388.42

• 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	0.9679		Relay (1.0) Calculated Property
ΔfG°	-829.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1461.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.61	kJ/mol	Joback Calculated Property
ΔvapH°	95.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-5.45		Relay (1.0) Calculated Property
logPoct/wat	5.433		Crippen Calculated Property
McVol	289.090	ml/mol	McGowan Calculated Property
Pc	1234.61	kPa	Joback Calculated Property
Inp	[2524.00; 2524.00]
Inp	2524.00		NIST
Inp	2524.00		NIST
Tboil	631.10	K	Relay (1.0) Calculated Property
Tc	805.51	K	Relay (1.0) Calculated Property
Tfus	306.44	K	Relay (1.0) Calculated Property
Vc	1.079	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[900.91; 976.56]	J/mol×K	[835.82; 1029.17]
Cp,gas	900.91	J/mol×K	835.82	Joback Calculated Property
Cp,gas	915.99	J/mol×K	868.05	Joback Calculated Property
Cp,gas	930.02	J/mol×K	900.27	Joback Calculated Property
Cp,gas	943.06	J/mol×K	932.50	Joback Calculated Property
Cp,gas	955.14	J/mol×K	964.72	Joback Calculated Property
Cp,gas	966.29	J/mol×K	996.95	Joback Calculated Property
Cp,gas	976.56	J/mol×K	1029.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, heptyl 4-(trifluoromethyl)benzyl ester.

Sources

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

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