Chemical Properties of Succinic acid, 1-(2,6-difluorophenyl)ethyl tetradecyl ester

InChI

InChI=1S/C26H40F2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-31-24(29)18-19-25(30)32-21(2)26-22(27)16-15-17-23(26)28/h15-17,21H,3-14,18-20H2,1-2H3

InChI Key

ZBXIDZGGYGAPPJ-UHFFFAOYSA-N

Formula

C26H40F2O4

SMILES

CCCCCCCCCCCCCCOC(=O)CCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

454.59

• 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	1.1534		Relay (1.0) Calculated Property
ΔfG°	-598.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1322.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.57	kJ/mol	Joback Calculated Property
ΔvapH°	124.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-7.37		Relay (1.0) Calculated Property
logPoct/wat	7.593		Crippen Calculated Property
McVol	371.860	ml/mol	McGowan Calculated Property
Pc	863.53	kPa	Joback Calculated Property
Inp	[2929.00; 2929.00]
Inp	2929.00		NIST
Inp	2929.00		NIST
Tboil	657.05	K	Relay (1.0) Calculated Property
Tc	855.40	K	Relay (1.0) Calculated Property
Tfus	327.40	K	Relay (1.0) Calculated Property
Vc	1.397	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1257.04; 1337.50]	J/mol×K	[981.60; 1204.73]
Cp,gas	1257.04	J/mol×K	981.60	Joback Calculated Property
Cp,gas	1274.34	J/mol×K	1018.79	Joback Calculated Property
Cp,gas	1290.01	J/mol×K	1055.98	Joback Calculated Property
Cp,gas	1304.12	J/mol×K	1093.16	Joback Calculated Property
Cp,gas	1316.70	J/mol×K	1130.35	Joback Calculated Property
Cp,gas	1327.81	J/mol×K	1167.54	Joback Calculated Property
Cp,gas	1337.50	J/mol×K	1204.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2,6-difluorophenyl)ethyl tetradecyl ester.

Sources

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

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