Chemical Properties of Selin-11-en-4-«alpha»-ol (CAS 16641-47-7)

InChI

InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,14-,15-/m0/s1

InChI Key

DPQYOKVMVCQHMY-AJNGGQMLSA-N

Formula

C15H26O

SMILES

C=C(C)C1CCC2(C)CCCC(C)(O)C2C1

Molecular Weight¹

222.37

CAS

16641-47-7

Other Names

• 11-Selinen-4-«alpha»-ol
• Eudesm-11-en-4a-ol
• Kongol
• Selina-11-en-4-«alpha»-ol
• selin-11-en-4-«alpha»-ol (kongol)
• «alpha»-11-selinene-4-ol
• «alpha»-Selin-11-en-4-ol
• Selin-11-ene-4«alpha»-ol
• Selin-11-ene-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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.52	kJ/mol	Joback Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Inp	[1614.00; 1676.00]
Inp	1656.00		NIST
Inp	1654.00		NIST
Inp	Outlier 1623.00		NIST
Inp	Outlier 1620.00		NIST
Inp	1651.00		NIST
Inp	1641.00		NIST
Inp	1652.00		NIST
Inp	1639.00		NIST
Inp	1660.00		NIST
Inp	1638.00		NIST
Inp	1660.00		NIST
Inp	1642.00		NIST
Inp	1660.00		NIST
Inp	1660.00		NIST
Inp	1642.00		NIST
Inp	1654.00		NIST
Inp	1632.00		NIST
Inp	1660.00		NIST
Inp	1653.00		NIST
Inp	1653.00		NIST
Inp	1649.00		NIST
Inp	1660.00		NIST
Inp	1661.00		NIST
Inp	1652.00		NIST
Inp	1632.00		NIST
Inp	Outlier 1676.00		NIST
Inp	1658.00		NIST
Inp	1660.00		NIST
Inp	1654.00		NIST
Inp	1653.00		NIST
Inp	1660.00		NIST
Inp	1653.00		NIST
Inp	1650.00		NIST
Inp	1653.00		NIST
Inp	1660.00		NIST
Inp	1652.00		NIST
Inp	1658.00		NIST
Inp	Outlier 1621.00		NIST
Inp	1660.00		NIST
Inp	1653.00		NIST
Inp	Outlier 1626.00		NIST
Inp	1640.00		NIST
Inp	1634.00		NIST
Inp	1650.00		NIST
Inp	1652.00		NIST
Inp	1655.00		NIST
Inp	1653.00		NIST
Inp	1653.00		NIST
Inp	1644.00		NIST
Inp	1651.00		NIST
Inp	1657.00		NIST
Inp	1653.00		NIST
Inp	1649.00		NIST
Inp	1654.00		NIST
Inp	1653.00		NIST
Inp	1648.00		NIST
Inp	1651.00		NIST
Inp	1645.00		NIST
Inp	1641.00		NIST
Inp	1652.00		NIST
Inp	1656.00		NIST
Inp	1652.00		NIST
Inp	1660.00		NIST
Inp	1652.00		NIST
Inp	1660.00		NIST
Inp	1660.00		NIST
Inp	1652.00		NIST
Inp	1635.00		NIST
Inp	1652.00		NIST
Inp	1652.00		NIST
Inp	1635.00		NIST
Inp	Outlier 1614.00		NIST
Inp	1656.00		NIST
Inp	1652.00		NIST
Inp	1660.00		NIST
Inp	1641.00		NIST
Inp	1654.00		NIST
Inp	1649.00		NIST
Inp	1632.00		NIST
Inp	1653.00		NIST
Inp	1651.00		NIST
Ip	[2208.00; 2282.00]
Ip	2240.00		NIST
Ip	2240.00		NIST
Ip	2249.00		NIST
Ip	2256.00		NIST
Ip	2253.00		NIST
Ip	2254.00		NIST
Ip	2258.00		NIST
Ip	2241.00		NIST
Ip	Outlier 2208.00		NIST
Ip	2216.00		NIST
Ip	2262.00		NIST
Ip	2249.00		NIST
Ip	2217.00		NIST
Ip	2249.00		NIST
Ip	2239.00		NIST
Ip	2251.00		NIST
Ip	2282.00		NIST
Ip	2263.00		NIST
Ip	2264.00		NIST
Ip	2273.00		NIST
Ip	2273.00		NIST
Ip	2273.00		NIST
Ip	2273.00		NIST
Ip	2273.00		NIST
Ip	2273.00		NIST
Ip	2273.00		NIST
Ip	2273.00		NIST
Ip	2262.00		NIST
Ip	2251.00		NIST
Ip	2249.00		NIST
Ip	2256.00		NIST
Ip	Outlier 2208.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.75; 777.65]	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			-2.17210e+02
Coefficient B			2.23696e+00
Coefficient C			-2.05700e-03
Coefficient D			8.14900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.75	J/mol×K	273.00	Calculated Property
Cp,gas	352.81	J/mol×K	353.78	Calculated Property
Cp,gas	433.30	J/mol×K	434.56	Calculated Property
Cp,gas	500.82	J/mol×K	515.33	Calculated Property
Cp,gas	557.93	J/mol×K	596.11	Calculated Property
Cp,gas	607.22	J/mol×K	676.89	Calculated Property
Cp,gas	651.26	J/mol×K	757.67	Calculated Property
Cp,gas	692.62	J/mol×K	838.44	Calculated Property
Cp,gas	733.90	J/mol×K	919.22	Calculated Property
Cp,gas	777.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Selin-11-en-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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.