Chemical Properties of Succinic acid, 3,4,5-trifluorobenzyl undecyl ester

InChI

InChI=1S/C22H31F3O4/c1-2-3-4-5-6-7-8-9-10-13-28-20(26)11-12-21(27)29-16-17-14-18(23)22(25)19(24)15-17/h14-15H,2-13,16H2,1H3

InChI Key

BQKQSBSVGLLBLM-UHFFFAOYSA-N

Formula

C22H31F3O4

SMILES

CCCCCCCCCCCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1

Molecular Weight¹

416.47

• 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	1.0839		Relay (1.0) Calculated Property
ΔfG°	-834.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1382.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.42	kJ/mol	Joback Calculated Property
ΔvapH°	108.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-7.11		Relay (1.0) Calculated Property
logPoct/wat	6.001		Crippen Calculated Property
McVol	317.270	ml/mol	McGowan Calculated Property
Pc	1049.37	kPa	Joback Calculated Property
Inp	[2584.00; 2584.00]
Inp	2584.00		NIST
Inp	2584.00		NIST
Tboil	633.03	K	Relay (1.0) Calculated Property
Tc	813.20	K	Relay (1.0) Calculated Property
Tfus	293.22	K	Relay (1.0) Calculated Property
Vc	1.198	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1017.57; 1094.09]	J/mol×K	[894.77; 1095.50]
Cp,gas	1017.57	J/mol×K	894.77	Joback Calculated Property
Cp,gas	1033.28	J/mol×K	928.23	Joback Calculated Property
Cp,gas	1047.78	J/mol×K	961.68	Joback Calculated Property
Cp,gas	1061.10	J/mol×K	995.14	Joback Calculated Property
Cp,gas	1073.24	J/mol×K	1028.59	Joback Calculated Property
Cp,gas	1084.23	J/mol×K	1062.05	Joback Calculated Property
Cp,gas	1094.09	J/mol×K	1095.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,4,5-trifluorobenzyl undecyl ester.

Sources

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

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