Chemical Properties of Tricyclo[4.4.0.0(2,7)]dec-8-ene-3-methanol, «alpha»,«alpha»,6,8-tetramethyl-, stereoisomer (CAS 41370-56-3)

InChI

InChI=1S/C15H24O/c1-9-5-6-11-12-10(14(2,3)16)7-8-15(11,4)13(9)12/h5,10-13,16H,6-8H2,1-4H3

InChI Key

IKIHFZGZEWTHEQ-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1=CCC2C3C(C(C)(C)O)CCC2(C)C13

Molecular Weight¹

220.35

CAS

41370-56-3

Other Names

• «alpha»-Copaen-11-ol
• Tricyclo[4.4.0.0(2,7)]dec-8-ene-5-methanol, «alpha»,«alpha»,2,8-tetramethyl-, stereoisomer
• «alpha»-Copaene-11-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°	20.26	kJ/mol	Joback Calculated Property
logPoct/wat	3.386		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Inp	[1535.00; 1549.00]
Inp	1535.00		NIST
Inp	1541.00		NIST
Inp	1540.00		NIST
Inp	1547.60		NIST
Inp	1539.00		NIST
Inp	1540.00		NIST
Inp	1549.00		NIST
Inp	1539.00		NIST
Ip	[2023.00; 2109.00]
Ip	2065.00		NIST
Ip	2065.00		NIST
Ip	2109.00		NIST
Ip	2065.00		NIST
Ip	2023.00		NIST
Ip	2065.00		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	[256.19; 740.63]	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			-2.01810e+02
Coefficient B			2.15518e+00
Coefficient C			-1.95064e-03
Coefficient D			7.37900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.19	J/mol×K	273.00	Calculated Property
Cp,gas	349.18	J/mol×K	353.78	Calculated Property
Cp,gas	426.93	J/mol×K	434.56	Calculated Property
Cp,gas	491.78	J/mol×K	515.33	Calculated Property
Cp,gas	546.07	J/mol×K	596.11	Calculated Property
Cp,gas	592.12	J/mol×K	676.89	Calculated Property
Cp,gas	632.26	J/mol×K	757.67	Calculated Property
Cp,gas	668.84	J/mol×K	838.44	Calculated Property
Cp,gas	704.19	J/mol×K	919.22	Calculated Property
Cp,gas	740.63	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.4.0.0(2,7)]dec-8-ene-3-methanol, «alpha»,«alpha»,6,8-tetramethyl-, stereoisomer.

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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