Chemical Properties of Sebacic acid, octyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C26H39F3O5/c1-2-3-4-5-10-13-20-32-24(30)14-11-8-6-7-9-12-15-25(31)33-21-22-16-18-23(19-17-22)34-26(27,28)29/h16-19H,2-15,20-21H2,1H3

InChI Key

RIRWYGZAGFHGEP-UHFFFAOYSA-N

Formula

C26H39F3O5

SMILES

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

Molecular Weight¹

488.58

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.2471		Relay (1.0) Calculated Property
ΔfG°	-883.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1743.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.34	kJ/mol	Joback Calculated Property
ΔvapH°	117.32	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-7.34		Relay (1.0) Calculated Property
logPoct/wat	7.653		Crippen Calculated Property
McVol	379.500	ml/mol	McGowan Calculated Property
Pc	845.54	kPa	Joback Calculated Property
Inp	[2797.00; 2797.00]
Inp	2797.00		NIST
Inp	2797.00		NIST
Tboil	680.63	K	Relay (1.0) Calculated Property
Tc	829.60	K	Relay (1.0) Calculated Property
Tfus	288.74	K	Relay (1.0) Calculated Property
Vc	1.427	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1293.29; 1370.15]	J/mol×K	[995.52; 1224.52]
Cp,gas	1293.29	J/mol×K	995.52	Joback Calculated Property
Cp,gas	1310.02	J/mol×K	1033.69	Joback Calculated Property
Cp,gas	1325.09	J/mol×K	1071.85	Joback Calculated Property
Cp,gas	1338.57	J/mol×K	1110.02	Joback Calculated Property
Cp,gas	1350.53	J/mol×K	1148.19	Joback Calculated Property
Cp,gas	1361.03	J/mol×K	1186.35	Joback Calculated Property
Cp,gas	1370.15	J/mol×K	1224.52	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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