Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl tetradecyl ester

InChI

InChI=1S/C22H39F3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-28-20(26)16-15-17-21(27)29-19(2)22(23,24)25/h19H,3-18H2,1-2H3

InChI Key

VHQVQBRBJHVFPM-UHFFFAOYSA-N

Formula

C22H39F3O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

424.54

• 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	1.0856		Relay (1.0) Calculated Property
ΔfG°	-917.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1749.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.61	kJ/mol	Joback Calculated Property
ΔvapH°	103.63	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	-6.35		Relay (1.0) Calculated Property
logPoct/wat	6.895		Crippen Calculated Property
McVol	341.030	ml/mol	McGowan Calculated Property
Pc	893.20	kPa	Joback Calculated Property
Inp	[2349.00; 2349.00]
Inp	2349.00		NIST
Inp	2349.00		NIST
Tboil	617.29	K	Relay (1.0) Calculated Property
Tc	757.65	K	Relay (1.0) Calculated Property
Tfus	298.88	K	Relay (1.0) Calculated Property
Vc	1.296	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1114.77; 1209.35]	J/mol×K	[849.48; 1040.26]
Cp,gas	1114.77	J/mol×K	849.48	Joback Calculated Property
Cp,gas	1133.32	J/mol×K	881.28	Joback Calculated Property
Cp,gas	1150.71	J/mol×K	913.07	Joback Calculated Property
Cp,gas	1166.96	J/mol×K	944.87	Joback Calculated Property
Cp,gas	1182.13	J/mol×K	976.66	Joback Calculated Property
Cp,gas	1196.24	J/mol×K	1008.46	Joback Calculated Property
Cp,gas	1209.35	J/mol×K	1040.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl tetradecyl ester.

Sources

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

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