Chemical Properties of Glutaric acid, octadecyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI

InChI=1S/C31H49F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-37-28(35)24-21-25-29(36)38-30(31(32,33)34)27-22-18-17-19-23-27/h17-19,22-23,30H,2-16,20-21,24-26H2,1H3

InChI Key

RLQDPNARUAYDDE-UHFFFAOYSA-N

Formula

C31H49F3O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

542.71

• 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	1.3114		Relay (1.0) Calculated Property
ΔfG°	-729.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1692.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.96	kJ/mol	Joback Calculated Property
ΔvapH°	138.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-8.41		Relay (1.0) Calculated Property
logPoct/wat	9.808		Crippen Calculated Property
McVol	444.080	ml/mol	McGowan Calculated Property
Pc	664.60	kPa	Joback Calculated Property
Inp	[3402.00; 3402.00]
Inp	3402.00		NIST
Inp	3402.00		NIST
Tboil	701.18	K	Relay (1.0) Calculated Property
Tc	883.04	K	Relay (1.0) Calculated Property
Tfus	320.64	K	Relay (1.0) Calculated Property
Vc	1.649	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1581.01; 1676.06]	J/mol×K	[1082.08; 1353.16]
Cp,gas	1581.01	J/mol×K	1082.08	Joback Calculated Property
Cp,gas	1601.28	J/mol×K	1127.26	Joback Calculated Property
Cp,gas	1619.53	J/mol×K	1172.44	Joback Calculated Property
Cp,gas	1635.94	J/mol×K	1217.62	Joback Calculated Property
Cp,gas	1650.71	J/mol×K	1262.80	Joback Calculated Property
Cp,gas	1664.02	J/mol×K	1307.98	Joback Calculated Property
Cp,gas	1676.06	J/mol×K	1353.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, octadecyl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

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

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