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

InChI

InChI=1S/C28H42O4/c1-2-3-22-31-27(29)20-14-6-4-5-7-15-21-28(30)32-26(25-18-12-9-13-19-25)23-24-16-10-8-11-17-24/h9-10,12-13,16,18-19,24,26H,2-8,11,14-15,17,20-23H2,1H3

InChI Key

XQGPRRAKUXFRSA-UHFFFAOYSA-N

Formula

C28H42O4

SMILES

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

Molecular Weight¹

442.63

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	60.59	kJ/mol	Joback Calculated Property
ΔvapH°	126.98	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.20		Relay (1.0) Calculated Property
logPoct/wat	7.481		Crippen Calculated Property
McVol	381.340	ml/mol	McGowan Calculated Property
Inp	[3286.00; 3286.00]
Inp	3286.00		NIST
Inp	3286.00		NIST
Tfus	286.34	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[1316.63; 1388.74]	J/mol×K	[1001.63; 1226.62]
Cp,gas	1316.63	J/mol×K	1001.63	Joback Calculated Property
Cp,gas	1332.92	J/mol×K	1039.13	Joback Calculated Property
Cp,gas	1347.39	J/mol×K	1076.63	Joback Calculated Property
Cp,gas	1360.13	J/mol×K	1114.12	Joback Calculated Property
Cp,gas	1371.22	J/mol×K	1151.62	Joback Calculated Property
Cp,gas	1380.73	J/mol×K	1189.12	Joback Calculated Property
Cp,gas	1388.74	J/mol×K	1226.62	Joback Calculated Property
η	[0.0000125; 0.0005018]	Pa×s	[509.54; 1001.63]
η	0.0005018	Pa×s	509.54	Joback Calculated Property
η	0.0001772	Pa×s	591.55	Joback Calculated Property
η	0.0000806	Pa×s	673.57	Joback Calculated Property
η	0.0000435	Pa×s	755.58	Joback Calculated Property
η	0.0000265	Pa×s	837.60	Joback Calculated Property
η	0.0000176	Pa×s	919.61	Joback Calculated Property
η	0.0000125	Pa×s	1001.63	Joback Calculated Property

Similar Compounds

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