Chemical Properties of Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl hexyl ester

InChI

InChI=1S/C30H46O4/c1-2-3-4-17-24-33-29(31)22-15-7-5-6-8-16-23-30(32)34-28(27-20-13-10-14-21-27)25-26-18-11-9-12-19-26/h10-11,13-14,18,20-21,26,28H,2-9,12,15-17,19,22-25H2,1H3

InChI Key

KBCSUJOXIGHJPX-UHFFFAOYSA-N

Formula

C30H46O4

SMILES

CCCCCCOC(=O)CCCCCCCCC(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

470.68

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[1441.44; 1511.27]	J/mol×K	[1047.39; 1283.11]
Cp,gas	1441.44	J/mol×K	1047.39	Joback Calculated Property
Cp,gas	1457.69	J/mol×K	1086.68	Joback Calculated Property
Cp,gas	1471.96	J/mol×K	1125.96	Joback Calculated Property
Cp,gas	1484.36	J/mol×K	1165.25	Joback Calculated Property
Cp,gas	1494.98	J/mol×K	1204.54	Joback Calculated Property
Cp,gas	1503.92	J/mol×K	1243.82	Joback Calculated Property
Cp,gas	1511.27	J/mol×K	1283.11	Joback Calculated Property
η	[0.0000091; 0.0003715]	Pa×s	[532.08; 1047.39]
η	0.0003715	Pa×s	532.08	Joback Calculated Property
η	0.0001302	Pa×s	617.96	Joback Calculated Property
η	0.0000589	Pa×s	703.85	Joback Calculated Property
η	0.0000317	Pa×s	789.73	Joback Calculated Property
η	0.0000192	Pa×s	875.62	Joback Calculated Property
η	0.0000128	Pa×s	961.50	Joback Calculated Property
η	0.0000091	Pa×s	1047.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl hexyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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