Chemical Properties of Drimenol (CAS 468-68-8)

InChI

InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h6,12-13,16H,5,7-10H2,1-4H3

InChI Key

HMWSKUKBAWWOJL-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1=CCC2C(C)(C)CCCC2(C)C1CO

Molecular Weight¹

222.37

CAS

468-68-8

• 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°	16.94	kJ/mol	Joback Calculated Property
logPoct/wat	3.778		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Inp	[1745.00; 1794.00]
Inp	1761.00		NIST
Inp	1750.00		NIST
Inp	Outlier 1788.10		NIST
Inp	Outlier 1794.00		NIST
Inp	1750.00		NIST
Inp	1750.00		NIST
Inp	1759.00		NIST
Inp	1777.10		NIST
Inp	1770.00		NIST
Inp	1745.00		NIST
Inp	1757.00		NIST
Inp	1750.00		NIST
Inp	1750.00		NIST
Inp	1750.00		NIST
Inp	1761.00		NIST
Inp	1749.00		NIST
Inp	1749.00		NIST
Inp	1761.00		NIST
Inp	1770.00		NIST
Inp	1750.00		NIST
I	[2494.00; 2525.00]
I	2494.00		NIST
I	2525.00		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	[262.49; 772.09]	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			-1.92449e+02
Coefficient B			2.14158e+00
Coefficient C			-1.95204e-03
Coefficient D			7.75000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.49	J/mol×K	273.00	Calculated Property
Cp,gas	355.20	J/mol×K	353.78	Calculated Property
Cp,gas	433.16	J/mol×K	434.56	Calculated Property
Cp,gas	498.84	J/mol×K	515.33	Calculated Property
Cp,gas	554.68	J/mol×K	596.11	Calculated Property
Cp,gas	603.14	J/mol×K	676.89	Calculated Property
Cp,gas	646.65	J/mol×K	757.67	Calculated Property
Cp,gas	687.68	J/mol×K	838.44	Calculated Property
Cp,gas	728.68	J/mol×K	919.22	Calculated Property
Cp,gas	772.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Drimenol.

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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