Chemical Properties of Succinic acid, 2-chloro-6-fluorobenzyl undecyl ester

InChI

InChI=1S/C22H32ClFO4/c1-2-3-4-5-6-7-8-9-10-16-27-21(25)14-15-22(26)28-17-18-19(23)12-11-13-20(18)24/h11-13H,2-10,14-17H2,1H3

InChI Key

MMQLMDCSNOBZOR-UHFFFAOYSA-N

Formula

C22H32ClFO4

SMILES

CCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1Cl

Molecular Weight¹

414.94

• 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).
• 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
ΔfG°	-447.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-985.27	kJ/mol	Joback Calculated Property
ΔfusH°	58.85	kJ/mol	Joback Calculated Property
ΔvapH°	90.05	kJ/mol	Joback Calculated Property
log10WS	-7.37		Crippen Calculated Property
logPoct/wat	6.377		Crippen Calculated Property
McVol	325.970	ml/mol	McGowan Calculated Property
Pc	1097.17	kPa	Joback Calculated Property
Inp	[2812.00; 2812.00]
Inp	2812.00		NIST
Inp	2812.00		NIST
Tboil	928.68	K	Joback Calculated Property
Tc	1137.77	K	Joback Calculated Property
Tfus	563.99	K	Joback Calculated Property
Vc	1.274	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1030.61; 1102.66]	J/mol×K	[928.68; 1137.77]
Cp,gas	1030.61	J/mol×K	928.68	Joback Calculated Property
Cp,gas	1045.68	J/mol×K	963.53	Joback Calculated Property
Cp,gas	1059.49	J/mol×K	998.38	Joback Calculated Property
Cp,gas	1072.06	J/mol×K	1033.22	Joback Calculated Property
Cp,gas	1083.43	J/mol×K	1068.07	Joback Calculated Property
Cp,gas	1093.62	J/mol×K	1102.92	Joback Calculated Property
Cp,gas	1102.66	J/mol×K	1137.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorobenzyl undecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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