Chemical Properties of (Z)-2-(henicos-12-en-1-yl)-6-methyl-2H-pyran-4(3H)-one (CAS 243118-19-6)

InChI

InChI=1S/C27H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-24-26(28)23-25(2)29-27/h10-11,23,27H,3-9,12-22,24H2,1-2H3/b11-10-

InChI Key

SQWASCWUQBNPCS-KHPPLWFESA-N

Formula

C27H48O2

SMILES

CCCCCCCCC=CCCCCCCCCCCCC1CC(=O)C=C(C)O1

Molecular Weight¹

404.67

CAS

243118-19-6

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[1315.51; 1421.72]	J/mol×K	[939.78; 1150.60]
Cp,gas	1315.51	J/mol×K	939.78	Joback Calculated Property
Cp,gas	1336.81	J/mol×K	974.92	Joback Calculated Property
Cp,gas	1356.60	J/mol×K	1010.05	Joback Calculated Property
Cp,gas	1374.92	J/mol×K	1045.19	Joback Calculated Property
Cp,gas	1391.84	J/mol×K	1080.32	Joback Calculated Property
Cp,gas	1407.42	J/mol×K	1115.46	Joback Calculated Property
Cp,gas	1421.72	J/mol×K	1150.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-2-(henicos-12-en-1-yl)-6-methyl-2H-pyran-4(3H)-one.

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

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