Chemical Properties of 1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-

InChI

InChI=1S/C15H24O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,10,12-13,16H,4-5,7-9H2,1-3H3

InChI Key

FUZABTYGEVJEPT-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C(C)(C)C3CC12CC=C3CO

Molecular Weight¹

220.36

Other Names

• Cedr-8-en-15-ol
• [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methanol
• «alpha»-Cedrenol

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.28	kJ/mol	Joback Calculated Property
logPoct/wat	3.387		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1669.10; 1695.00]
Inp	1669.10		NIST
Inp	1695.00		NIST
Inp	1669.10		NIST
Tfus	347.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[248.83; 748.27]	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			-2.32449e+02
Coefficient B			2.31166e+00
Coefficient C			-2.26504e-03
Coefficient D			9.34100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.83	J/mol×K	273.00	Calculated Property
Cp,gas	343.24	J/mol×K	353.78	Calculated Property
Cp,gas	421.02	J/mol×K	434.56	Calculated Property
Cp,gas	485.14	J/mol×K	515.33	Calculated Property
Cp,gas	538.55	J/mol×K	596.11	Calculated Property
Cp,gas	584.19	J/mol×K	676.89	Calculated Property
Cp,gas	625.03	J/mol×K	757.67	Calculated Property
Cp,gas	664.03	J/mol×K	838.44	Calculated Property
Cp,gas	704.12	J/mol×K	919.22	Calculated Property
Cp,gas	748.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-.

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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