Chemical Properties of (Z)-6-Methyl-2-(tricos-14-en-1-yl)-2H-pyran-4(3H)-one (CAS 243118-20-9)

InChI

InChI=1S/C29H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-26-28(30)25-27(2)31-29/h10-11,25,29H,3-9,12-24,26H2,1-2H3/b11-10-

InChI Key

DCWXKWMWPSIAIY-KHPPLWFESA-N

Formula

C29H52O2

SMILES

CCCCCCCCC=CCCCCCCCCCCCCCC1CC(=O)C=C(C)O1

Molecular Weight¹

432.72

CAS

243118-20-9

• 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	-745.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.23	kJ/mol	Joback Calculated Property
ΔvapH°	140.38	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	9.626		Crippen Calculated Property
McVol	407.450	ml/mol	McGowan Calculated Property
Inp	[3353.60; 3353.60]
Inp	3353.60		NIST
Inp	3353.60		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1445.49; 1553.40]	J/mol×K	[985.54; 1208.13]
Cp,gas	1445.49	J/mol×K	985.54	Joback Calculated Property
Cp,gas	1467.48	J/mol×K	1022.64	Joback Calculated Property
Cp,gas	1487.76	J/mol×K	1059.74	Joback Calculated Property
Cp,gas	1506.42	J/mol×K	1096.84	Joback Calculated Property
Cp,gas	1523.53	J/mol×K	1133.93	Joback Calculated Property
Cp,gas	1539.16	J/mol×K	1171.03	Joback Calculated Property
Cp,gas	1553.40	J/mol×K	1208.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-6-Methyl-2-(tricos-14-en-1-yl)-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.
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