Chemical Properties of Succinic acid, dodecyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C23H33F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-29-22(27)12-13-23(28)30-17-18-15-20(25)21(26)16-19(18)24/h15-16H,2-14,17H2,1H3

InChI Key

AXSBIZZIKJBENZ-UHFFFAOYSA-N

Formula

C23H33F3O4

SMILES

CCCCCCCCCCCCOC(=O)CCC(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

430.50

• 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	1.1173		Relay (1.0) Calculated Property
ΔfG°	-825.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1407.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.01	kJ/mol	Joback Calculated Property
ΔvapH°	114.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-7.34		Relay (1.0) Calculated Property
logPoct/wat	6.391		Crippen Calculated Property
McVol	331.360	ml/mol	McGowan Calculated Property
Pc	987.02	kPa	Joback Calculated Property
Inp	[2664.00; 2664.00]
Inp	2664.00		NIST
Inp	2664.00		NIST
Tboil	646.24	K	Relay (1.0) Calculated Property
Tc	829.14	K	Relay (1.0) Calculated Property
Tfus	319.84	K	Relay (1.0) Calculated Property
Vc	1.257	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1078.10; 1155.57]	J/mol×K	[917.65; 1123.68]
Cp,gas	1078.10	J/mol×K	917.65	Joback Calculated Property
Cp,gas	1094.20	J/mol×K	951.99	Joback Calculated Property
Cp,gas	1108.99	J/mol×K	986.33	Joback Calculated Property
Cp,gas	1122.50	J/mol×K	1020.67	Joback Calculated Property
Cp,gas	1134.75	J/mol×K	1055.01	Joback Calculated Property
Cp,gas	1145.77	J/mol×K	1089.34	Joback Calculated Property
Cp,gas	1155.57	J/mol×K	1123.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dodecyl 2,4,5-trifluorobenzyl ester.

Sources

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

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