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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	66.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.11	kJ/mol	Joback Calculated Property
ΔfusH°	23.64	kJ/mol	Joback Calculated Property
ΔvapH°	55.22	kJ/mol	Joback Calculated Property
log10WS	-3.82		Crippen Calculated Property
logPoct/wat	3.840		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	1892.00	kPa	Joback 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
I	[2050.00; 2129.00]
I	2064.00		NIST
I	2112.00		NIST
I	2073.00		NIST
I	2061.00		NIST
I	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
Tboil	612.14	K	Joback Calculated Property
Tc	823.71	K	Joback Calculated Property
Tfus	324.26	K	Joback Calculated Property
Vc	0.748	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.92; 664.21]	J/mol×K	[612.14; 823.71]
Cp,gas	550.92	J/mol×K	612.14	Joback Calculated Property
Cp,gas	572.89	J/mol×K	647.40	Joback Calculated Property
Cp,gas	593.57	J/mol×K	682.66	Joback Calculated Property
Cp,gas	612.99	J/mol×K	717.93	Joback Calculated Property
Cp,gas	631.20	J/mol×K	753.19	Joback Calculated Property
Cp,gas	648.26	J/mol×K	788.45	Joback Calculated Property
Cp,gas	664.21	J/mol×K	823.71	Joback Calculated Property
η	[0.0006354; 0.0025848]	Pa×s	[324.26; 612.14]
η	0.0025848	Pa×s	324.26	Joback Calculated Property
η	0.0017596	Pa×s	372.24	Joback Calculated Property
η	0.0013078	Pa×s	420.22	Joback Calculated Property
η	0.0010329	Pa×s	468.20	Joback Calculated Property
η	0.0008524	Pa×s	516.18	Joback Calculated Property
η	0.0007268	Pa×s	564.16	Joback Calculated Property
η	0.0006354	Pa×s	612.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Oplopenone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.