Chemical Properties of Succinic acid, 4-fluorobenzyl hexadecyl ester

InChI

InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-26(29)20-21-27(30)32-23-24-16-18-25(28)19-17-24/h16-19H,2-15,20-23H2,1H3

InChI Key

IAGZYKMKSBJUJY-UHFFFAOYSA-N

Formula

C27H43FO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1ccc(F)cc1

Molecular Weight¹

450.63

• 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°	-383.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1061.26	kJ/mol	Joback Calculated Property
ΔfusH°	67.99	kJ/mol	Joback Calculated Property
ΔvapH°	96.13	kJ/mol	Joback Calculated Property
log10WS	-8.78		Crippen Calculated Property
logPoct/wat	7.674		Crippen Calculated Property
McVol	384.180	ml/mol	McGowan Calculated Property
Pc	841.62	kPa	Joback Calculated Property
Inp	[3134.00; 3134.00]
Inp	3134.00		NIST
Inp	3134.00		NIST
Tboil	1000.67	K	Joback Calculated Property
Tc	1229.47	K	Joback Calculated Property
Tfus	577.90	K	Joback Calculated Property
Vc	1.506	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1313.16; 1396.71]	J/mol×K	[1000.67; 1229.47]
Cp,gas	1313.16	J/mol×K	1000.67	Joback Calculated Property
Cp,gas	1331.08	J/mol×K	1038.80	Joback Calculated Property
Cp,gas	1347.32	J/mol×K	1076.94	Joback Calculated Property
Cp,gas	1361.94	J/mol×K	1115.07	Joback Calculated Property
Cp,gas	1375.00	J/mol×K	1153.21	Joback Calculated Property
Cp,gas	1386.57	J/mol×K	1191.34	Joback Calculated Property
Cp,gas	1396.71	J/mol×K	1229.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-fluorobenzyl hexadecyl ester.

Sources

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

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