Chemical Properties of Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl tetradecyl ester

InChI

InChI=1S/C26H38F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-33-24(31)17-18-25(32)34-20-21-22(26(28,29)30)15-14-16-23(21)27/h14-16H,2-13,17-20H2,1H3

InChI Key

JLPDECIPOXYQCL-UHFFFAOYSA-N

Formula

C26H38F4O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

490.57

• 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	1.1876		Relay (1.0) Calculated Property
ΔfG°	-983.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1755.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.84	kJ/mol	Joback Calculated Property
ΔvapH°	121.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-7.87		Relay (1.0) Calculated Property
logPoct/wat	7.912		Crippen Calculated Property
McVol	375.400	ml/mol	McGowan Calculated Property
Pc	824.79	kPa	Joback Calculated Property
Inp	[2907.00; 2907.00]
Inp	2907.00		NIST
Inp	2907.00		NIST
Tboil	678.06	K	Relay (1.0) Calculated Property
Tc	850.45	K	Relay (1.0) Calculated Property
Tfus	330.65	K	Relay (1.0) Calculated Property
Vc	1.407	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1270.25; 1352.96]	J/mol×K	[977.35; 1202.25]
Cp,gas	1270.25	J/mol×K	977.35	Joback Calculated Property
Cp,gas	1287.53	J/mol×K	1014.83	Joback Calculated Property
Cp,gas	1303.31	J/mol×K	1052.32	Joback Calculated Property
Cp,gas	1317.67	J/mol×K	1089.80	Joback Calculated Property
Cp,gas	1330.68	J/mol×K	1127.28	Joback Calculated Property
Cp,gas	1342.42	J/mol×K	1164.76	Joback Calculated Property
Cp,gas	1352.96	J/mol×K	1202.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl tetradecyl ester.

Sources

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

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