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

InChI

InChI=1S/C27H42F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-32-25(30)19-16-20-26(31)33-22(2)27-23(28)17-15-18-24(27)29/h15,17-18,22H,3-14,16,19-21H2,1-2H3

InChI Key

MTLKRPKPEZZKIC-UHFFFAOYSA-N

Formula

C27H42F2O4

SMILES

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

Molecular Weight¹

468.62

• 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°	-590.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1274.12	kJ/mol	Joback Calculated Property
ΔfusH°	67.16	kJ/mol	Joback Calculated Property
ΔvapH°	95.59	kJ/mol	Joback Calculated Property
log10WS	-9.07		Crippen Calculated Property
logPoct/wat	7.984		Crippen Calculated Property
McVol	385.950	ml/mol	McGowan Calculated Property
Pc	816.79	kPa	Joback Calculated Property
Inp	[3102.00; 3102.00]
Inp	3102.00		NIST
Inp	3102.00		NIST
Tboil	1004.48	K	Joback Calculated Property
Tc	1235.92	K	Joback Calculated Property
Tfus	576.01	K	Joback Calculated Property
Vc	1.518	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1319.57; 1400.44]	J/mol×K	[1004.48; 1235.92]
Cp,gas	1319.57	J/mol×K	1004.48	Joback Calculated Property
Cp,gas	1337.24	J/mol×K	1043.05	Joback Calculated Property
Cp,gas	1353.17	J/mol×K	1081.63	Joback Calculated Property
Cp,gas	1367.39	J/mol×K	1120.20	Joback Calculated Property
Cp,gas	1379.97	J/mol×K	1158.78	Joback Calculated Property
Cp,gas	1390.97	J/mol×K	1197.35	Joback Calculated Property
Cp,gas	1400.44	J/mol×K	1235.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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