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

Property	Value	Unit	Source
ΔfH°gas	-703.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.05	kJ/mol	Joback Calculated Property
ΔvapH°	133.75	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	8.846		Crippen Calculated Property
McVol	379.270	ml/mol	McGowan Calculated Property
Inp	[3146.10; 3146.10]
Inp	3146.10		NIST
Inp	3146.10		NIST

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.94; 1351.09]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.56120e+01
Coefficient B			2.42414e+00
Coefficient C			-1.27214e-03
Coefficient D			2.24700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	545.94	J/mol×K	273.00	Calculated Property
Cp,gas	682.72	J/mol×K	353.78	Calculated Property
Cp,gas	806.02	J/mol×K	434.56	Calculated Property
Cp,gas	916.54	J/mol×K	515.33	Calculated Property
Cp,gas	1014.99	J/mol×K	596.11	Calculated Property
Cp,gas	1102.08	J/mol×K	676.89	Calculated Property
Cp,gas	1178.53	J/mol×K	757.67	Calculated Property
Cp,gas	1245.04	J/mol×K	838.44	Calculated Property
Cp,gas	1302.32	J/mol×K	919.22	Calculated Property
Cp,gas	1351.09	J/mol×K	1000.00	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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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