Chemical Properties of Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptadecyl ester

InChI

InChI=1S/C29H44F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-36-27(34)20-21-28(35)37-23-24-25(29(31,32)33)18-17-19-26(24)30/h17-19H,2-16,20-23H2,1H3

InChI Key

QCPXAIZVCGYFLP-UHFFFAOYSA-N

Formula

C29H44F4O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

532.65

• 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°	-957.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1711.09	kJ/mol	Joback Calculated Property
ΔfusH°	74.61	kJ/mol	Joback Calculated Property
ΔvapH°	97.50	kJ/mol	Joback Calculated Property
log10WS	-10.30		Crippen Calculated Property
logPoct/wat	9.082		Crippen Calculated Property
McVol	417.670	ml/mol	McGowan Calculated Property
Pc	703.59	kPa	Joback Calculated Property
Inp	[3204.00; 3204.00]
Inp	3204.00		NIST
Inp	3204.00		NIST
Tboil	1045.99	K	Joback Calculated Property
Tc	1303.14	K	Joback Calculated Property
Tfus	617.15	K	Joback Calculated Property
Vc	1.661	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1458.43; 1546.53]	J/mol×K	[1045.99; 1303.14]
Cp,gas	1458.43	J/mol×K	1045.99	Joback Calculated Property
Cp,gas	1477.51	J/mol×K	1088.85	Joback Calculated Property
Cp,gas	1494.66	J/mol×K	1131.71	Joback Calculated Property
Cp,gas	1510.01	J/mol×K	1174.56	Joback Calculated Property
Cp,gas	1523.68	J/mol×K	1217.42	Joback Calculated Property
Cp,gas	1535.81	J/mol×K	1260.28	Joback Calculated Property
Cp,gas	1546.53	J/mol×K	1303.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptadecyl ester.

Sources

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

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