Chemical Properties of 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene- (CAS 28231-03-0)

InChI

InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3

InChI Key

DJYWGTBEZVORGE-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1C(O)CC23CC1C(C)(C)C2CCC3C

Molecular Weight¹

220.35

CAS

28231-03-0

Other Names

• Cedr-8(15)-en-9-ol
• Cedrenol
• «beta»-cedren-9-«alpha»-ol
• octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulen-5-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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.36	kJ/mol	Joback Calculated Property
logPoct/wat	3.386		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1604.00; 1645.00]
Inp	1604.00		NIST
Inp	1604.00		NIST
Inp	1615.00		NIST
Inp	1645.00		NIST
Inp	1615.00		NIST
Inp	1645.00		NIST
Ip	[2110.00; 2142.00]
Ip	2110.00		NIST
Ip	2113.00		NIST
Ip	2142.00		NIST
Ip	2115.00		NIST
Ip	2129.00		NIST
Ip	2133.00		NIST
Ip	2133.00		NIST
Ip	2129.00		NIST
Ip	2110.00		NIST
Tfus	373.62	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	[251.52; 757.36]	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			-2.26300e+02
Coefficient B			2.28316e+00
Coefficient C			-2.19700e-03
Coefficient D			8.97500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.52	J/mol×K	273.00	Calculated Property
Cp,gas	346.20	J/mol×K	353.78	Calculated Property
Cp,gas	424.63	J/mol×K	434.56	Calculated Property
Cp,gas	489.66	J/mol×K	515.33	Calculated Property
Cp,gas	544.13	J/mol×K	596.11	Calculated Property
Cp,gas	590.87	J/mol×K	676.89	Calculated Property
Cp,gas	632.73	J/mol×K	757.67	Calculated Property
Cp,gas	672.54	J/mol×K	838.44	Calculated Property
Cp,gas	713.13	J/mol×K	919.22	Calculated Property
Cp,gas	757.36	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene-.

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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