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

InChI

InChI=1S/C27H42ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-32-26(30)19-20-27(31)33-22-23-24(28)17-16-18-25(23)29/h16-18H,2-15,19-22H2,1H3

InChI Key

AAKOKJAWTBKOFJ-UHFFFAOYSA-N

Formula

C27H42ClFO4

SMILES

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

Molecular Weight¹

485.07

• 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°	-404.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1088.47	kJ/mol	Joback Calculated Property
ΔfusH°	71.80	kJ/mol	Joback Calculated Property
ΔvapH°	101.18	kJ/mol	Joback Calculated Property
log10WS	-9.46		Crippen Calculated Property
logPoct/wat	8.327		Crippen Calculated Property
McVol	396.420	ml/mol	McGowan Calculated Property
Pc	816.79	kPa	Joback Calculated Property
Inp	[3304.00; 3304.00]
Inp	3304.00		NIST
Inp	3304.00		NIST
Tboil	1043.08	K	Joback Calculated Property
Tc	1284.84	K	Joback Calculated Property
Tfus	620.34	K	Joback Calculated Property
Vc	1.554	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1337.90; 1411.76]	J/mol×K	[1043.08; 1284.84]
Cp,gas	1337.90	J/mol×K	1043.08	Joback Calculated Property
Cp,gas	1354.52	J/mol×K	1083.37	Joback Calculated Property
Cp,gas	1369.32	J/mol×K	1123.67	Joback Calculated Property
Cp,gas	1382.38	J/mol×K	1163.96	Joback Calculated Property
Cp,gas	1393.76	J/mol×K	1204.25	Joback Calculated Property
Cp,gas	1403.53	J/mol×K	1244.55	Joback Calculated Property
Cp,gas	1411.76	J/mol×K	1284.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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