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

InChI

InChI=1S/C24H36ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-29-23(27)16-17-24(28)30-19-20-21(25)14-13-15-22(20)26/h13-15H,2-12,16-19H2,1H3

InChI Key

VMZMLDFPHJUDMD-UHFFFAOYSA-N

Formula

C24H36ClFO4

SMILES

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

Molecular Weight¹

442.99

• 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°	-430.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1026.55	kJ/mol	Joback Calculated Property
ΔfusH°	64.03	kJ/mol	Joback Calculated Property
ΔvapH°	94.50	kJ/mol	Joback Calculated Property
log10WS	-8.21		Crippen Calculated Property
logPoct/wat	7.157		Crippen Calculated Property
McVol	354.150	ml/mol	McGowan Calculated Property
Pc	969.88	kPa	Joback Calculated Property
Inp	[3008.00; 3008.00]
Inp	3008.00		NIST
Inp	3008.00		NIST
Tboil	974.44	K	Joback Calculated Property
Tc	1193.27	K	Joback Calculated Property
Tfus	586.53	K	Joback Calculated Property
Vc	1.387	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1152.18; 1225.18]	J/mol×K	[974.44; 1193.27]
Cp,gas	1152.18	J/mol×K	974.44	Joback Calculated Property
Cp,gas	1167.81	J/mol×K	1010.91	Joback Calculated Property
Cp,gas	1182.00	J/mol×K	1047.38	Joback Calculated Property
Cp,gas	1194.80	J/mol×K	1083.85	Joback Calculated Property
Cp,gas	1206.23	J/mol×K	1120.32	Joback Calculated Property
Cp,gas	1216.35	J/mol×K	1156.80	Joback Calculated Property
Cp,gas	1225.18	J/mol×K	1193.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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