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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1780.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.68	kJ/mol	Joback Calculated Property
ΔvapH°	126.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.88		Relay (1.0) Calculated Property
logPoct/wat	8.433		Crippen Calculated Property
McVol	407.680	ml/mol	McGowan Calculated Property
Pc	725.35	kPa	Joback Calculated Property
Inp	[2964.00; 2964.00]
Inp	2964.00		NIST
Inp	2964.00		NIST
Tboil	695.10	K	Relay (1.0) Calculated Property
Tc	849.32	K	Relay (1.0) Calculated Property
Tfus	292.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1402.21; 1478.89]	J/mol×K	[1005.34; 1242.12]
Cp,gas	1402.21	J/mol×K	1005.34	Joback Calculated Property
Cp,gas	1419.56	J/mol×K	1044.80	Joback Calculated Property
Cp,gas	1434.96	J/mol×K	1084.27	Joback Calculated Property
Cp,gas	1448.50	J/mol×K	1123.73	Joback Calculated Property
Cp,gas	1460.28	J/mol×K	1163.19	Joback Calculated Property
Cp,gas	1470.38	J/mol×K	1202.65	Joback Calculated Property
Cp,gas	1478.89	J/mol×K	1242.12	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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