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

InChI

InChI=1S/C33H51F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-41-26(39)22-21-23-27(40)42-25(2)28-29(34)31(36)33(38)32(37)30(28)35/h25H,3-24H2,1-2H3

InChI Key

ABRVUIOYOOECMM-UHFFFAOYSA-N

Formula

C33H51F5O4

SMILES

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

Molecular Weight¹

606.75

• 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	1.4631		Relay (1.0) Calculated Property
ΔfG°	-1153.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1904.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	90.77	kJ/mol	Joback Calculated Property
ΔvapH°	147.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-10.35		Relay (1.0) Calculated Property
logPoct/wat	10.742		Crippen Calculated Property
McVol	475.800	ml/mol	McGowan Calculated Property
Pc	552.33	kPa	Joback Calculated Property
Inp	[3526.00; 3526.00]
Inp	3526.00		NIST
Inp	3526.00		NIST
Tboil	710.17	K	Relay (1.0) Calculated Property
Tc	879.84	K	Relay (1.0) Calculated Property
Tfus	343.02	K	Relay (1.0) Calculated Property
Vc	1.799	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1715.45; 1777.92]	J/mol×K	[1154.51; 1510.24]
Cp,gas	1715.45	J/mol×K	1154.51	Joback Calculated Property
Cp,gas	1736.16	J/mol×K	1213.80	Joback Calculated Property
Cp,gas	1752.45	J/mol×K	1273.09	Joback Calculated Property
Cp,gas	1764.54	J/mol×K	1332.37	Joback Calculated Property
Cp,gas	1772.66	J/mol×K	1391.66	Joback Calculated Property
Cp,gas	1777.05	J/mol×K	1450.95	Joback Calculated Property
Cp,gas	1777.92	J/mol×K	1510.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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