Chemical Properties of Glutaric acid, octyl 2-(pentafluorophenoxy)ethyl ester

InChI

InChI=1S/C21H27F5O5/c1-2-3-4-5-6-7-11-29-14(27)9-8-10-15(28)30-12-13-31-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3

InChI Key

ZLIUXOKGCXVXAG-UHFFFAOYSA-N

Formula

C21H27F5O5

SMILES

CCCCCCCCOC(=O)CCCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

454.43

• 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).
• 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
ΔfG°	-1356.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1899.96	kJ/mol	Joback Calculated Property
ΔfusH°	64.40	kJ/mol	Joback Calculated Property
ΔvapH°	84.56	kJ/mol	Joback Calculated Property
log10WS	-6.83		Crippen Calculated Property
logPoct/wat	5.378		Crippen Calculated Property
McVol	312.590	ml/mol	McGowan Calculated Property
Pc	1022.04	kPa	Joback Calculated Property
Inp	[2557.00; 2557.00]
Inp	2557.00		NIST
Inp	2557.00		NIST
Tboil	902.81	K	Joback Calculated Property
Tc	1106.22	K	Joback Calculated Property
Tfus	584.95	K	Joback Calculated Property
Vc	1.260	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[999.57; 1067.46]	J/mol×K	[902.81; 1106.22]
Cp,gas	999.57	J/mol×K	902.81	Joback Calculated Property
Cp,gas	1014.16	J/mol×K	936.71	Joback Calculated Property
Cp,gas	1027.44	J/mol×K	970.61	Joback Calculated Property
Cp,gas	1039.42	J/mol×K	1004.51	Joback Calculated Property
Cp,gas	1050.08	J/mol×K	1038.41	Joback Calculated Property
Cp,gas	1059.43	J/mol×K	1072.31	Joback Calculated Property
Cp,gas	1067.46	J/mol×K	1106.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, octyl 2-(pentafluorophenoxy)ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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