Chemical Properties of Succinic acid, octyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C19H24F4O4/c1-2-3-4-5-6-7-10-26-15(24)8-9-16(25)27-12-13-11-14(20)18(22)19(23)17(13)21/h11H,2-10,12H2,1H3

InChI Key

NOQJVFMTFPIKMF-UHFFFAOYSA-N

Formula

C19H24F4O4

SMILES

CCCCCCCCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

392.39

• 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°	-1064.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1518.88	kJ/mol	Joback Calculated Property
ΔfusH°	55.34	kJ/mol	Joback Calculated Property
ΔvapH°	77.86	kJ/mol	Joback Calculated Property
log10WS	-6.43		Crippen Calculated Property
logPoct/wat	4.970		Crippen Calculated Property
McVol	276.770	ml/mol	McGowan Calculated Property
Pc	1223.41	kPa	Joback Calculated Property
Inp	[2245.00; 2245.00]
Inp	2245.00		NIST
Inp	2245.00		NIST
Tboil	830.38	K	Joback Calculated Property
Tc	1019.22	K	Joback Calculated Property
Tfus	527.07	K	Joback Calculated Property
Vc	1.111	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[846.65; 917.88]	J/mol×K	[830.38; 1019.22]
Cp,gas	846.65	J/mol×K	830.38	Joback Calculated Property
Cp,gas	860.92	J/mol×K	861.85	Joback Calculated Property
Cp,gas	874.21	J/mol×K	893.33	Joback Calculated Property
Cp,gas	886.55	J/mol×K	924.80	Joback Calculated Property
Cp,gas	897.94	J/mol×K	956.28	Joback Calculated Property
Cp,gas	908.38	J/mol×K	987.75	Joback Calculated Property
Cp,gas	917.88	J/mol×K	1019.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, octyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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