Chemical Properties of «beta»-Copaen-4-«alpha»-ol (CAS 124753-76-0)

InChI

InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)11-7-12(16)9(3)14(15)13(10)11/h8,10-14,16H,3,5-7H2,1-2,4H3

InChI Key

LPXOPRGPLUWGKB-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1C(O)CC2C3C(C(C)C)CCC2(C)C13

Molecular Weight¹

220.35

CAS

124753-76-0

Other Names

• «beta»-Copaene-4«alpha»-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	23.23	kJ/mol	Joback Calculated Property
logPoct/wat	3.242		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1556.00; 1596.30]
Inp	1585.00		NIST
Inp	1584.00		NIST
Inp	1565.00		NIST
Inp	1583.00		NIST
Inp	1579.00		NIST
Inp	1585.00		NIST
Inp	1570.00		NIST
Inp	1565.00		NIST
Inp	1575.00		NIST
Inp	1579.00		NIST
Inp	1570.00		NIST
Inp	1579.00		NIST
Inp	1596.30		NIST
Inp	1595.00		NIST
Inp	1585.00		NIST
Inp	1572.00		NIST
Inp	1589.00		NIST
Inp	1590.00		NIST
Inp	1587.00		NIST
Inp	1589.00		NIST
Inp	1594.00		NIST
Inp	1591.00		NIST
Inp	1588.00		NIST
Inp	1586.00		NIST
Inp	1572.00		NIST
Inp	1586.00		NIST
Inp	1581.00		NIST
Inp	1575.00		NIST
Inp	1586.00		NIST
Inp	1575.00		NIST
Inp	1595.00		NIST
Inp	1591.00		NIST
Inp	1584.00		NIST
Inp	Outlier 1556.00		NIST
Inp	1595.00		NIST
Inp	1587.00		NIST
Inp	1586.00		NIST
Inp	1596.30		NIST
I	[2135.00; 2141.00]
I	2141.00		NIST
I	2135.00		NIST
I	2141.00		NIST
I	2135.00		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	[576.73; 677.43]	J/mol×K	[644.22; 842.77]
Cp,gas	576.73	J/mol×K	644.22	Joback Calculated Property
Cp,gas	595.44	J/mol×K	677.31	Joback Calculated Property
Cp,gas	613.20	J/mol×K	710.40	Joback Calculated Property
Cp,gas	630.15	J/mol×K	743.49	Joback Calculated Property
Cp,gas	646.41	J/mol×K	776.58	Joback Calculated Property
Cp,gas	662.12	J/mol×K	809.68	Joback Calculated Property
Cp,gas	677.43	J/mol×K	842.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Copaen-4-«alpha»-ol.

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