Chemical Properties of Sebacic acid, nonyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C27H41F3O5/c1-2-3-4-5-8-11-14-21-33-25(31)15-12-9-6-7-10-13-16-26(32)34-22-23-17-19-24(20-18-23)35-27(28,29)30/h17-20H,2-16,21-22H2,1H3

InChI Key

DYFDHPBBGFKKHM-UHFFFAOYSA-N

Formula

C27H41F3O5

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

502.61

• 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°	-875.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1594.45	kJ/mol	Joback Calculated Property
ΔfusH°	67.93	kJ/mol	Joback Calculated Property
ΔvapH°	95.61	kJ/mol	Joback Calculated Property
log10WS	-9.31		Crippen Calculated Property
logPoct/wat	8.043		Crippen Calculated Property
McVol	393.590	ml/mol	McGowan Calculated Property
Pc	800.24	kPa	Joback Calculated Property
Inp	[2870.00; 2870.00]
Inp	2870.00		NIST
Inp	2870.00		NIST
Tboil	1018.40	K	Joback Calculated Property
Tc	1256.83	K	Joback Calculated Property
Tfus	603.73	K	Joback Calculated Property
Vc	1.548	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1355.51; 1433.02]	J/mol×K	[1018.40; 1256.83]
Cp,gas	1355.51	J/mol×K	1018.40	Joback Calculated Property
Cp,gas	1372.67	J/mol×K	1058.14	Joback Calculated Property
Cp,gas	1388.02	J/mol×K	1097.88	Joback Calculated Property
Cp,gas	1401.65	J/mol×K	1137.61	Joback Calculated Property
Cp,gas	1413.63	J/mol×K	1177.35	Joback Calculated Property
Cp,gas	1424.06	J/mol×K	1217.09	Joback Calculated Property
Cp,gas	1433.02	J/mol×K	1256.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, nonyl 4-trifluoromethoxybenzyl ester.

Sources

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

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