Chemical Properties of «beta»-Oplopenone (CAS 28305-60-4)

InChI

InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-7-8-14(11(4)16)15(12)13/h9,12-15H,3,5-8H2,1-2,4H3/t12-,13?,14+,15?/m0/s1

InChI Key

YKWVCZPTAAKDIY-FGZQJIAISA-N

Formula

C15H24O

SMILES

C=C1CCC(C(C)C)C2C1CCC2C(C)=O

Molecular Weight¹

220.35

CAS

28305-60-4

Other Names

• Oplopenone
• «beta»-Oploplenone

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.64	kJ/mol	Joback Calculated Property
logPoct/wat	3.840		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Inp	[1568.00; 1620.00]
Inp	1606.00		NIST
Inp	1600.00		NIST
Inp	1601.00		NIST
Inp	1607.00		NIST
Inp	1606.00		NIST
Inp	1606.00		NIST
Inp	1606.00		NIST
Inp	1606.00		NIST
Inp	1586.00		NIST
Inp	1606.00		NIST
Inp	1605.00		NIST
Inp	1592.00		NIST
Inp	1594.00		NIST
Inp	1608.00		NIST
Inp	1610.00		NIST
Inp	1608.00		NIST
Inp	1600.00		NIST
Inp	1606.00		NIST
Inp	1606.00		NIST
Inp	1593.00		NIST
Inp	1594.00		NIST
Inp	1607.00		NIST
Inp	1620.00		NIST
Inp	1592.00		NIST
Inp	1608.00		NIST
Inp	Outlier 1575.00		NIST
Inp	1608.00		NIST
Inp	1607.00		NIST
Inp	1590.00		NIST
Inp	1597.00		NIST
Inp	1608.00		NIST
Inp	1611.00		NIST
Inp	Outlier 1573.00		NIST
Inp	1601.00		NIST
Inp	1606.00		NIST
Inp	1596.00		NIST
Inp	1589.00		NIST
Inp	1585.00		NIST
Inp	1594.00		NIST
Inp	Outlier 1574.00		NIST
Inp	1589.00		NIST
Inp	1596.00		NIST
Inp	1605.00		NIST
Inp	1588.00		NIST
Inp	Outlier 1568.00		NIST
Inp	1606.00		NIST
Inp	1608.00		NIST
Inp	1606.00		NIST
Inp	1610.00		NIST
Inp	1607.00		NIST
Inp	1609.00		NIST
Inp	1607.00		NIST
Inp	1607.00		NIST
Inp	1588.00		NIST
Inp	1589.00		NIST
Inp	1592.00		NIST
Inp	1592.00		NIST
Inp	1600.00		NIST
Inp	1605.00		NIST
Inp	1606.00		NIST
Inp	Outlier 1568.00		NIST
Inp	1607.00		NIST
Inp	1589.00		NIST
I	[2050.00; 2129.00]
I	2064.00		NIST
I	2112.00		NIST
I	2073.00		NIST
I	2061.00		NIST
I	Outlier 2051.00		NIST
I	Outlier 2050.00		NIST
I	Outlier 2129.00		NIST
I	2092.00		NIST
I	2096.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2092.00		NIST
I	2091.00		NIST
I	2089.00		NIST
I	2092.00		NIST
I	2089.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[551.05; 664.33]	J/mol×K	[612.34; 823.98]
Cp,gas	551.05	J/mol×K	612.34	Joback Calculated Property
Cp,gas	573.02	J/mol×K	647.61	Joback Calculated Property
Cp,gas	593.69	J/mol×K	682.89	Joback Calculated Property
Cp,gas	613.11	J/mol×K	718.16	Joback Calculated Property
Cp,gas	631.32	J/mol×K	753.43	Joback Calculated Property
Cp,gas	648.38	J/mol×K	788.71	Joback Calculated Property
Cp,gas	664.33	J/mol×K	823.98	Joback Calculated Property
η	[0.0006351; 0.0025848]	Pa×s	[324.26; 612.34]
η	0.0025848	Pa×s	324.26	Joback Calculated Property
η	0.0017592	Pa×s	372.27	Joback Calculated Property
η	0.0013073	Pa×s	420.29	Joback Calculated Property
η	0.0010325	Pa×s	468.30	Joback Calculated Property
η	0.0008520	Pa×s	516.31	Joback Calculated Property
η	0.0007264	Pa×s	564.33	Joback Calculated Property
η	0.0006351	Pa×s	612.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Oplopenone.

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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