Chemical Properties of Sebacic acid, 4-bromo-2,6-difluorobenzyl nonyl ester

InChI

InChI=1S/C26H39BrF2O4/c1-2-3-4-5-8-11-14-17-32-25(30)15-12-9-6-7-10-13-16-26(31)33-20-22-23(28)18-21(27)19-24(22)29/h18-19H,2-17,20H2,1H3

InChI Key

QQDUHMDHNJCXSP-UHFFFAOYSA-N

Formula

C26H39BrF2O4

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCc1c(F)cc(Br)cc1F

Molecular Weight¹

533.49

• 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°	-591.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1233.34	kJ/mol	Joback Calculated Property
ΔfusH°	72.99	kJ/mol	Joback Calculated Property
ΔvapH°	100.84	kJ/mol	Joback Calculated Property
log10WS	-9.86		Crippen Calculated Property
logPoct/wat	8.185		Crippen Calculated Property
McVol	389.360	ml/mol	McGowan Calculated Property
Pc	887.35	kPa	Joback Calculated Property
Inp	[3235.00; 3235.00]
Inp	3235.00		NIST
Inp	3235.00		NIST
Tboil	1053.18	K	Joback Calculated Property
Tc	1297.53	K	Joback Calculated Property
Tfus	652.06	K	Joback Calculated Property
Vc	1.530	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1294.44; 1363.88]	J/mol×K	[1053.18; 1297.53]
Cp,gas	1294.44	J/mol×K	1053.18	Joback Calculated Property
Cp,gas	1310.09	J/mol×K	1093.91	Joback Calculated Property
Cp,gas	1324.02	J/mol×K	1134.63	Joback Calculated Property
Cp,gas	1336.29	J/mol×K	1175.36	Joback Calculated Property
Cp,gas	1346.99	J/mol×K	1216.08	Joback Calculated Property
Cp,gas	1356.16	J/mol×K	1256.81	Joback Calculated Property
Cp,gas	1363.88	J/mol×K	1297.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-bromo-2,6-difluorobenzyl nonyl ester.

Sources

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

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