Chemical Properties of Glutaric acid, 1-(pentafluorophenyl)ethyl tridecyl ester

InChI

InChI=1S/C26H37F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-34-19(32)15-14-16-20(33)35-18(2)21-22(27)24(29)26(31)25(30)23(21)28/h18H,3-17H2,1-2H3

InChI Key

CGCOOMAXLOBLBY-UHFFFAOYSA-N

Formula

C26H37F5O4

SMILES

CCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

508.56

• 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	1.2118		Relay (1.0) Calculated Property
ΔfG°	-1212.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1773.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.64	kJ/mol	Joback Calculated Property
ΔvapH°	119.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-8.46		Relay (1.0) Calculated Property
logPoct/wat	8.011		Crippen Calculated Property
McVol	377.170	ml/mol	McGowan Calculated Property
Pc	778.94	kPa	Joback Calculated Property
Inp	[2812.00; 2812.00]
Inp	2812.00		NIST
Inp	2812.00		NIST
Tboil	657.85	K	Relay (1.0) Calculated Property
Tc	830.34	K	Relay (1.0) Calculated Property
Tfus	326.54	K	Relay (1.0) Calculated Property
Vc	1.421	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1275.32; 1350.81]	J/mol×K	[994.35; 1231.40]
Cp,gas	1275.32	J/mol×K	994.35	Joback Calculated Property
Cp,gas	1292.50	J/mol×K	1033.86	Joback Calculated Property
Cp,gas	1307.80	J/mol×K	1073.37	Joback Calculated Property
Cp,gas	1321.24	J/mol×K	1112.88	Joback Calculated Property
Cp,gas	1332.86	J/mol×K	1152.38	Joback Calculated Property
Cp,gas	1342.71	J/mol×K	1191.89	Joback Calculated Property
Cp,gas	1350.81	J/mol×K	1231.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(pentafluorophenyl)ethyl tridecyl ester.

Sources

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

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