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

InChI

InChI=1S/C24H35F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-30-22(28)13-14-23(29)31-18-19-16-20(25)24(27)21(26)17-19/h16-17H,2-15,18H2,1H3

InChI Key

FXMFFLAEGRAPIC-UHFFFAOYSA-N

Formula

C24H35F3O4

SMILES

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

Molecular Weight¹

444.53

• 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	1.1566		Relay (1.0) Calculated Property
ΔfG°	-817.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1419.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.60	kJ/mol	Joback Calculated Property
ΔvapH°	116.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-7.67		Relay (1.0) Calculated Property
logPoct/wat	6.782		Crippen Calculated Property
McVol	345.450	ml/mol	McGowan Calculated Property
Pc	930.07	kPa	Joback Calculated Property
Inp	[2787.00; 2787.00]
Inp	2787.00		NIST
Inp	2787.00		NIST
Tboil	648.61	K	Relay (1.0) Calculated Property
Tc	829.34	K	Relay (1.0) Calculated Property
Tfus	300.93	K	Relay (1.0) Calculated Property
Vc	1.306	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1139.20; 1217.53]	J/mol×K	[940.53; 1152.88]
Cp,gas	1139.20	J/mol×K	940.53	Joback Calculated Property
Cp,gas	1155.70	J/mol×K	975.92	Joback Calculated Property
Cp,gas	1170.78	J/mol×K	1011.31	Joback Calculated Property
Cp,gas	1184.48	J/mol×K	1046.71	Joback Calculated Property
Cp,gas	1196.81	J/mol×K	1082.10	Joback Calculated Property
Cp,gas	1207.82	J/mol×K	1117.49	Joback Calculated Property
Cp,gas	1217.53	J/mol×K	1152.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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