Chemical Properties of Glutaric acid, heptadecyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C29H44F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-36-25(34)18-17-19-26(35)37-22-23-21-24(30)28(32)29(33)27(23)31/h21H,2-20,22H2,1H3

InChI Key

UQECECJPJFWUSV-UHFFFAOYSA-N

Formula

C29H44F4O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

532.65

• 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°	-979.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1725.28	kJ/mol	Joback Calculated Property
ΔfusH°	81.25	kJ/mol	Joback Calculated Property
ΔvapH°	100.12	kJ/mol	Joback Calculated Property
log10WS	-10.61		Crippen Calculated Property
logPoct/wat	8.871		Crippen Calculated Property
McVol	417.670	ml/mol	McGowan Calculated Property
Pc	685.65	kPa	Joback Calculated Property
Inp	[3359.00; 3359.00]
Inp	3359.00		NIST
Inp	3359.00		NIST
Tboil	1059.18	K	Joback Calculated Property
Tc	1330.17	K	Joback Calculated Property
Tfus	639.77	K	Joback Calculated Property
Vc	1.671	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1456.84; 1534.85]	J/mol×K	[1059.18; 1330.17]
Cp,gas	1456.84	J/mol×K	1059.18	Joback Calculated Property
Cp,gas	1475.79	J/mol×K	1104.35	Joback Calculated Property
Cp,gas	1492.25	J/mol×K	1149.51	Joback Calculated Property
Cp,gas	1506.30	J/mol×K	1194.68	Joback Calculated Property
Cp,gas	1518.02	J/mol×K	1239.84	Joback Calculated Property
Cp,gas	1527.51	J/mol×K	1285.01	Joback Calculated Property
Cp,gas	1534.85	J/mol×K	1330.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, heptadecyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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