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

InChI

InChI=1S/C30H48F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-35-28(33)22-19-23-29(34)36-25(2)30-26(31)20-18-21-27(30)32/h18,20-21,25H,3-17,19,22-24H2,1-2H3

InChI Key

KEZGDTGVNXDUIG-UHFFFAOYSA-N

Formula

C30H48F2O4

SMILES

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

Molecular Weight¹

510.70

• 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°	-565.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1336.04	kJ/mol	Joback Calculated Property
ΔfusH°	74.93	kJ/mol	Joback Calculated Property
ΔvapH°	102.26	kJ/mol	Joback Calculated Property
log10WS	-10.33		Crippen Calculated Property
logPoct/wat	9.154		Crippen Calculated Property
McVol	428.220	ml/mol	McGowan Calculated Property
Pc	697.28	kPa	Joback Calculated Property
Inp	[3406.00; 3406.00]
Inp	3406.00		NIST
Inp	3406.00		NIST
Tboil	1073.12	K	Joback Calculated Property
Tc	1337.58	K	Joback Calculated Property
Tfus	609.82	K	Joback Calculated Property
Vc	1.685	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1509.09; 1590.47]	J/mol×K	[1073.12; 1337.58]
Cp,gas	1509.09	J/mol×K	1073.12	Joback Calculated Property
Cp,gas	1528.10	J/mol×K	1117.20	Joback Calculated Property
Cp,gas	1544.79	J/mol×K	1161.27	Joback Calculated Property
Cp,gas	1559.27	J/mol×K	1205.35	Joback Calculated Property
Cp,gas	1571.63	J/mol×K	1249.43	Joback Calculated Property
Cp,gas	1582.00	J/mol×K	1293.50	Joback Calculated Property
Cp,gas	1590.47	J/mol×K	1337.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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