Chemical Properties of Sebacic acid, pentyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C23H33F3O5/c1-2-3-10-17-29-21(27)11-8-6-4-5-7-9-12-22(28)30-18-19-13-15-20(16-14-19)31-23(24,25)26/h13-16H,2-12,17-18H2,1H3

InChI Key

ALFNVQSKPMJUCE-UHFFFAOYSA-N

Formula

C23H33F3O5

SMILES

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

Molecular Weight¹

446.50

• 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°	-908.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1511.89	kJ/mol	Joback Calculated Property
ΔfusH°	57.57	kJ/mol	Joback Calculated Property
ΔvapH°	86.70	kJ/mol	Joback Calculated Property
log10WS	-7.63		Crippen Calculated Property
logPoct/wat	6.483		Crippen Calculated Property
McVol	337.230	ml/mol	McGowan Calculated Property
Pc	1007.17	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	926.88	K	Joback Calculated Property
Tc	1134.80	K	Joback Calculated Property
Tfus	558.65	K	Joback Calculated Property
Vc	1.325	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1109.16; 1183.81]	J/mol×K	[926.88; 1134.80]
Cp,gas	1109.16	J/mol×K	926.88	Joback Calculated Property
Cp,gas	1124.78	J/mol×K	961.53	Joback Calculated Property
Cp,gas	1139.08	J/mol×K	996.19	Joback Calculated Property
Cp,gas	1152.09	J/mol×K	1030.84	Joback Calculated Property
Cp,gas	1163.85	J/mol×K	1065.49	Joback Calculated Property
Cp,gas	1174.41	J/mol×K	1100.14	Joback Calculated Property
Cp,gas	1183.81	J/mol×K	1134.80	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.