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

InChI

InChI=1S/C21H28F4O4/c1-2-3-4-5-6-7-8-9-12-28-17(26)10-11-18(27)29-14-15-13-16(22)20(24)21(25)19(15)23/h13H,2-12,14H2,1H3

InChI Key

PLDSZLDFNBIKJL-UHFFFAOYSA-N

Formula

C21H28F4O4

SMILES

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

Molecular Weight¹

420.44

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.0584		Relay (1.0) Calculated Property
ΔfG°	-1047.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1512.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.52	kJ/mol	Joback Calculated Property
ΔvapH°	104.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-7.22		Relay (1.0) Calculated Property
logPoct/wat	5.750		Crippen Calculated Property
McVol	304.950	ml/mol	McGowan Calculated Property
Pc	1074.28	kPa	Joback Calculated Property
Inp	[2442.00; 2442.00]
Inp	2442.00		NIST
Inp	2442.00		NIST
Tboil	626.84	K	Relay (1.0) Calculated Property
Tc	799.48	K	Relay (1.0) Calculated Property
Tfus	301.10	K	Relay (1.0) Calculated Property
Vc	1.152	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[964.21; 1038.08]	J/mol×K	[876.14; 1072.72]
Cp,gas	964.21	J/mol×K	876.14	Joback Calculated Property
Cp,gas	979.30	J/mol×K	908.90	Joback Calculated Property
Cp,gas	993.27	J/mol×K	941.67	Joback Calculated Property
Cp,gas	1006.11	J/mol×K	974.43	Joback Calculated Property
Cp,gas	1017.86	J/mol×K	1007.20	Joback Calculated Property
Cp,gas	1028.51	J/mol×K	1039.96	Joback Calculated Property
Cp,gas	1038.08	J/mol×K	1072.72	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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