Chemical Properties of Sebacic acid, nonyl pentafluorobenzyl ester

InChI

InChI=1S/C26H37F5O4/c1-2-3-4-5-8-11-14-17-34-20(32)15-12-9-6-7-10-13-16-21(33)35-18-19-22(27)24(29)26(31)25(30)23(19)28/h2-18H2,1H3

InChI Key

YGHLPYQJQVQRIM-UHFFFAOYSA-N

Formula

C26H37F5O4

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

508.56

• 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°	-1209.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1870.94	kJ/mol	Joback Calculated Property
ΔfusH°	76.17	kJ/mol	Joback Calculated Property
ΔvapH°	93.28	kJ/mol	Joback Calculated Property
log10WS	-9.69		Crippen Calculated Property
logPoct/wat	7.840		Crippen Calculated Property
McVol	377.170	ml/mol	McGowan Calculated Property
Pc	775.48	kPa	Joback Calculated Property
Inp	[2971.00; 2971.00]
Inp	2971.00		NIST
Inp	2971.00		NIST
Tboil	994.79	K	Joback Calculated Property
Tc	1234.18	K	Joback Calculated Property
Tfus	619.07	K	Joback Calculated Property
Vc	1.522	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1274.97; 1351.51]	J/mol×K	[994.79; 1234.18]
Cp,gas	1274.97	J/mol×K	994.79	Joback Calculated Property
Cp,gas	1292.38	J/mol×K	1034.69	Joback Calculated Property
Cp,gas	1307.88	J/mol×K	1074.59	Joback Calculated Property
Cp,gas	1321.50	J/mol×K	1114.49	Joback Calculated Property
Cp,gas	1333.29	J/mol×K	1154.38	Joback Calculated Property
Cp,gas	1343.28	J/mol×K	1194.28	Joback Calculated Property
Cp,gas	1351.51	J/mol×K	1234.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, nonyl pentafluorobenzyl ester.

Sources

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

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