Chemical Properties of Succinic acid, pentadecyl 3,4,5-trifluorobenzyl ester

InChI

InChI=1S/C26H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-32-24(30)15-16-25(31)33-20-21-18-22(27)26(29)23(28)19-21/h18-19H,2-17,20H2,1H3

InChI Key

KFSIBSMNLUVKJU-UHFFFAOYSA-N

Formula

C26H39F3O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1

Molecular Weight¹

472.58

• 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°	-800.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1455.78	kJ/mol	Joback Calculated Property
ΔfusH°	70.78	kJ/mol	Joback Calculated Property
ΔvapH°	93.59	kJ/mol	Joback Calculated Property
log10WS	-9.02		Crippen Calculated Property
logPoct/wat	7.562		Crippen Calculated Property
McVol	373.630	ml/mol	McGowan Calculated Property
Pc	830.02	kPa	Joback Calculated Property
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST
Tboil	986.29	K	Joback Calculated Property
Tc	1214.66	K	Joback Calculated Property
Tfus	592.85	K	Joback Calculated Property
Vc	1.486	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1262.84; 1342.54]	J/mol×K	[986.29; 1214.66]
Cp,gas	1262.84	J/mol×K	986.29	Joback Calculated Property
Cp,gas	1280.22	J/mol×K	1024.35	Joback Calculated Property
Cp,gas	1295.89	J/mol×K	1062.41	Joback Calculated Property
Cp,gas	1309.92	J/mol×K	1100.47	Joback Calculated Property
Cp,gas	1322.34	J/mol×K	1138.54	Joback Calculated Property
Cp,gas	1333.20	J/mol×K	1176.60	Joback Calculated Property
Cp,gas	1342.54	J/mol×K	1214.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, pentadecyl 3,4,5-trifluorobenzyl ester.

Sources

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

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