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

InChI

InChI=1S/C23H34ClFO4/c1-2-3-4-5-6-7-8-9-10-11-17-28-22(26)15-16-23(27)29-18-19-20(24)13-12-14-21(19)25/h12-14H,2-11,15-18H2,1H3

InChI Key

BKTMEZXGELCJAR-UHFFFAOYSA-N

Formula

C23H34ClFO4

SMILES

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

Molecular Weight¹

428.96

• 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°	-438.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1005.91	kJ/mol	Joback Calculated Property
ΔfusH°	61.44	kJ/mol	Joback Calculated Property
ΔvapH°	92.27	kJ/mol	Joback Calculated Property
log10WS	-7.79		Crippen Calculated Property
logPoct/wat	6.767		Crippen Calculated Property
McVol	340.060	ml/mol	McGowan Calculated Property
Pc	1030.59	kPa	Joback Calculated Property
Inp	[2906.00; 2906.00]
Inp	2906.00		NIST
Inp	2906.00		NIST
Tboil	951.56	K	Joback Calculated Property
Tc	1165.01	K	Joback Calculated Property
Tfus	575.26	K	Joback Calculated Property
Vc	1.331	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1091.13; 1163.70]	J/mol×K	[951.56; 1165.01]
Cp,gas	1091.13	J/mol×K	951.56	Joback Calculated Property
Cp,gas	1106.48	J/mol×K	987.14	Joback Calculated Property
Cp,gas	1120.48	J/mol×K	1022.71	Joback Calculated Property
Cp,gas	1133.17	J/mol×K	1058.29	Joback Calculated Property
Cp,gas	1144.58	J/mol×K	1093.86	Joback Calculated Property
Cp,gas	1154.74	J/mol×K	1129.44	Joback Calculated Property
Cp,gas	1163.70	J/mol×K	1165.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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