Chemical Properties of Glutaric acid, 1-(2,6-difluorophenyl)ethyl octadecyl ester

InChI

InChI=1S/C31H50F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-36-29(34)23-20-24-30(35)37-26(2)31-27(32)21-19-22-28(31)33/h19,21-22,26H,3-18,20,23-25H2,1-2H3

InChI Key

SKZZCSUPKKOACJ-UHFFFAOYSA-N

Formula

C31H50F2O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

524.72

• 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°	-556.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1356.68	kJ/mol	Joback Calculated Property
ΔfusH°	77.52	kJ/mol	Joback Calculated Property
ΔvapH°	104.49	kJ/mol	Joback Calculated Property
log10WS	-10.75		Crippen Calculated Property
logPoct/wat	9.544		Crippen Calculated Property
McVol	442.310	ml/mol	McGowan Calculated Property
Pc	663.23	kPa	Joback Calculated Property
Inp	[3510.00; 3510.00]
Inp	3510.00		NIST
Inp	3510.00		NIST
Tboil	1096.00	K	Joback Calculated Property
Tc	1374.51	K	Joback Calculated Property
Tfus	621.09	K	Joback Calculated Property
Vc	1.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1572.79; 1653.98]	J/mol×K	[1096.00; 1374.51]
Cp,gas	1572.79	J/mol×K	1096.00	Joback Calculated Property
Cp,gas	1592.29	J/mol×K	1142.42	Joback Calculated Property
Cp,gas	1609.23	J/mol×K	1188.84	Joback Calculated Property
Cp,gas	1623.74	J/mol×K	1235.26	Joback Calculated Property
Cp,gas	1635.95	J/mol×K	1281.67	Joback Calculated Property
Cp,gas	1645.99	J/mol×K	1328.09	Joback Calculated Property
Cp,gas	1653.98	J/mol×K	1374.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(2,6-difluorophenyl)ethyl octadecyl ester.

Sources

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

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