Chemical Properties of Sebacic acid, decyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C28H43F3O5/c1-2-3-4-5-6-9-12-15-22-34-26(32)16-13-10-7-8-11-14-17-27(33)35-23-24-18-20-25(21-19-24)36-28(29,30)31/h18-21H,2-17,22-23H2,1H3

InChI Key

VDPJSINRKDCJHO-UHFFFAOYSA-N

Formula

C28H43F3O5

SMILES

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

Molecular Weight¹

516.63

• 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°	-866.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1615.09	kJ/mol	Joback Calculated Property
ΔfusH°	70.52	kJ/mol	Joback Calculated Property
ΔvapH°	97.83	kJ/mol	Joback Calculated Property
log10WS	-9.73		Crippen Calculated Property
logPoct/wat	8.433		Crippen Calculated Property
McVol	407.680	ml/mol	McGowan Calculated Property
Pc	758.49	kPa	Joback Calculated Property
Inp	[2964.00; 2964.00]
Inp	2964.00		NIST
Inp	2964.00		NIST
Tboil	1041.28	K	Joback Calculated Property
Tc	1290.49	K	Joback Calculated Property
Tfus	615.00	K	Joback Calculated Property
Vc	1.605	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1418.08; 1496.17]	J/mol×K	[1041.28; 1290.49]
Cp,gas	1418.08	J/mol×K	1041.28	Joback Calculated Property
Cp,gas	1435.69	J/mol×K	1082.82	Joback Calculated Property
Cp,gas	1451.33	J/mol×K	1124.35	Joback Calculated Property
Cp,gas	1465.10	J/mol×K	1165.89	Joback Calculated Property
Cp,gas	1477.10	J/mol×K	1207.42	Joback Calculated Property
Cp,gas	1487.42	J/mol×K	1248.96	Joback Calculated Property
Cp,gas	1496.17	J/mol×K	1290.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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