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

InChI

InChI=1S/C22H30F4O4/c1-2-3-4-5-6-7-8-9-13-29-18(27)11-10-12-19(28)30-15-16-14-17(23)21(25)22(26)20(16)24/h14H,2-13,15H2,1H3

InChI Key

BYBZSDXPCGKVIC-UHFFFAOYSA-N

Formula

C22H30F4O4

SMILES

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

Molecular Weight¹

434.46

• 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°	-1038.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1580.80	kJ/mol	Joback Calculated Property
ΔfusH°	63.11	kJ/mol	Joback Calculated Property
ΔvapH°	84.53	kJ/mol	Joback Calculated Property
log10WS	-7.68		Crippen Calculated Property
logPoct/wat	6.140		Crippen Calculated Property
McVol	319.040	ml/mol	McGowan Calculated Property
Pc	1009.73	kPa	Joback Calculated Property
Inp	[2645.00; 2645.00]
Inp	2645.00		NIST
Inp	2645.00		NIST
Tboil	899.02	K	Joback Calculated Property
Tc	1100.82	K	Joback Calculated Property
Tfus	560.88	K	Joback Calculated Property
Vc	1.280	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.05; 1099.06]	J/mol×K	[899.02; 1100.82]
Cp,gas	1024.05	J/mol×K	899.02	Joback Calculated Property
Cp,gas	1039.56	J/mol×K	932.65	Joback Calculated Property
Cp,gas	1053.85	J/mol×K	966.29	Joback Calculated Property
Cp,gas	1066.93	J/mol×K	999.92	Joback Calculated Property
Cp,gas	1078.81	J/mol×K	1033.55	Joback Calculated Property
Cp,gas	1089.52	J/mol×K	1067.18	Joback Calculated Property
Cp,gas	1099.06	J/mol×K	1100.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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