Chemical Properties of Sebacic acid, isohexyl 3-phenylallyl ester

InChI

InChI=1S/C25H38O4/c1-22(2)14-12-20-28-24(26)18-10-5-3-4-6-11-19-25(27)29-21-13-17-23-15-8-7-9-16-23/h7-9,13,15-17,22H,3-6,10-12,14,18-21H2,1-2H3/b17-13+

InChI Key

FYZOFBDADLGRQX-GHRIWEEISA-N

Formula

C25H38O4

SMILES

CC(C)CCCOC(=O)CCCCCCCCC(=O)OCC=Cc1ccccc1

Molecular Weight¹

402.57

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.96	kJ/mol	Joback Calculated Property
log10WS	-6.23		Relay (1.0) Calculated Property
logPoct/wat	6.343		Crippen Calculated Property
McVol	349.930	ml/mol	McGowan Calculated Property
Inp	[3071.00; 3071.00]
Inp	3071.00		NIST
Inp	3071.00		NIST
Tboil	678.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[1138.88; 1221.64]	J/mol×K	[918.44; 1126.00]
Cp,gas	1138.88	J/mol×K	918.44	Joback Calculated Property
Cp,gas	1155.86	J/mol×K	953.03	Joback Calculated Property
Cp,gas	1171.48	J/mol×K	987.63	Joback Calculated Property
Cp,gas	1185.81	J/mol×K	1022.22	Joback Calculated Property
Cp,gas	1198.91	J/mol×K	1056.82	Joback Calculated Property
Cp,gas	1210.83	J/mol×K	1091.41	Joback Calculated Property
Cp,gas	1221.64	J/mol×K	1126.00	Joback Calculated Property
η	[0.0000158; 0.0006699]	Pa×s	[462.51; 918.44]
η	0.0006699	Pa×s	462.51	Joback Calculated Property
η	0.0002309	Pa×s	538.50	Joback Calculated Property
η	0.0001036	Pa×s	614.49	Joback Calculated Property
η	0.0000554	Pa×s	690.47	Joback Calculated Property
η	0.0000336	Pa×s	766.46	Joback Calculated Property
η	0.0000223	Pa×s	842.45	Joback Calculated Property
η	0.0000158	Pa×s	918.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isohexyl 3-phenylallyl 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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