Chemical Properties of ((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol (CAS 16223-63-5)

InChI

InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3

InChI Key

OOYRHNIVDZZGQV-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1C2CCC(CO)C23CCC(C3)C1(C)C

Molecular Weight¹

220.35

CAS

16223-63-5

Other Names

• Khusimol
• Khusenol
• Tricyclovetivenol
• Zizanol

• 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°	17.29	kJ/mol	Joback Calculated Property
logPoct/wat	3.387		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1726.00; 1754.00]
Inp	1727.00		NIST
Inp	1727.00		NIST
Inp	1742.00		NIST
Inp	1743.00		NIST
Inp	Outlier 1754.00		NIST
Inp	1740.00		NIST
Inp	1735.00		NIST
Inp	1726.00		NIST
Inp	1735.00		NIST
Inp	1742.00		NIST
I	2521.00		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	[573.84; 677.88]	J/mol×K	[654.04; 861.86]
Cp,gas	573.84	J/mol×K	654.04	Joback Calculated Property
Cp,gas	592.45	J/mol×K	688.68	Joback Calculated Property
Cp,gas	610.25	J/mol×K	723.31	Joback Calculated Property
Cp,gas	627.46	J/mol×K	757.95	Joback Calculated Property
Cp,gas	644.31	J/mol×K	792.59	Joback Calculated Property
Cp,gas	661.04	J/mol×K	827.22	Joback Calculated Property
Cp,gas	677.88	J/mol×K	861.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to ((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol.

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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