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

InChI

InChI=1S/C23H34F2O4/c1-3-4-5-6-7-8-9-10-11-17-28-21(26)15-16-22(27)29-18(2)23-19(24)13-12-14-20(23)25/h12-14,18H,3-11,15-17H2,1-2H3

InChI Key

FQQGOLNPCWBNKG-UHFFFAOYSA-N

Formula

C23H34F2O4

SMILES

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

Molecular Weight¹

412.51

• 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	1.0451		Relay (1.0) Calculated Property
ΔfG°	-623.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1263.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.80	kJ/mol	Joback Calculated Property
ΔvapH°	112.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	6.423		Crippen Calculated Property
McVol	329.590	ml/mol	McGowan Calculated Property
Pc	1030.59	kPa	Joback Calculated Property
Inp	[2628.00; 2628.00]
Inp	2628.00		NIST
Inp	2628.00		NIST
Tboil	635.78	K	Relay (1.0) Calculated Property
Tc	832.94	K	Relay (1.0) Calculated Property
Tfus	318.24	K	Relay (1.0) Calculated Property
Vc	1.234	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1072.11; 1150.86]	J/mol×K	[912.96; 1117.91]
Cp,gas	1072.11	J/mol×K	912.96	Joback Calculated Property
Cp,gas	1088.39	J/mol×K	947.12	Joback Calculated Property
Cp,gas	1103.36	J/mol×K	981.28	Joback Calculated Property
Cp,gas	1117.07	J/mol×K	1015.43	Joback Calculated Property
Cp,gas	1129.54	J/mol×K	1049.59	Joback Calculated Property
Cp,gas	1140.79	J/mol×K	1083.75	Joback Calculated Property
Cp,gas	1150.86	J/mol×K	1117.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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