Chemical Properties of Succinic acid, hexadecyl 2-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-34-26(32)20-21-27(33)35-23-24-18-15-16-19-25(24)28(29,30)31/h15-16,18-19H,2-14,17,20-23H2,1H3

InChI Key

MJHAMEOSXXTYKK-UHFFFAOYSA-N

Formula

C28H43F3O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

500.63

• 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°	-761.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1482.87	kJ/mol	Joback Calculated Property
ΔfusH°	69.33	kJ/mol	Joback Calculated Property
ΔvapH°	95.42	kJ/mol	Joback Calculated Property
log10WS	-9.55		Crippen Calculated Property
logPoct/wat	8.553		Crippen Calculated Property
McVol	401.810	ml/mol	McGowan Calculated Property
Pc	765.64	kPa	Joback Calculated Property
Inp	[3115.00; 3115.00]
Inp	3115.00		NIST
Inp	3115.00		NIST
Tboil	1018.86	K	Joback Calculated Property
Tc	1257.93	K	Joback Calculated Property
Tfus	592.77	K	Joback Calculated Property
Vc	1.587	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1389.35; 1476.88]	J/mol×K	[1018.86; 1257.93]
Cp,gas	1389.35	J/mol×K	1018.86	Joback Calculated Property
Cp,gas	1407.74	J/mol×K	1058.70	Joback Calculated Property
Cp,gas	1424.47	J/mol×K	1098.55	Joback Calculated Property
Cp,gas	1439.64	J/mol×K	1138.39	Joback Calculated Property
Cp,gas	1453.36	J/mol×K	1178.24	Joback Calculated Property
Cp,gas	1465.74	J/mol×K	1218.08	Joback Calculated Property
Cp,gas	1476.88	J/mol×K	1257.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hexadecyl 2-(trifluoromethyl)benzyl ester.

Sources

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

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