Chemical Properties of «alpha»-Muurolene (CAS 31983-22-9)

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1

InChI Key

QMAYBMKBYCGXDH-ZNMIVQPWSA-N

Formula

C15H24

SMILES

CC1=CC2C(CC1)C(C)=CCC2C(C)C

Molecular Weight¹

204.35

CAS

31983-22-9

Other Names

• [1«alpha»,4a«alpha»,8a«alpha»]-1,2,4a,5,6,8a-hexahydro-4-7-dimethyl-1-[1-methylethyl]naphthalene
• Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1«alpha»,4a«alpha»,8a«alpha»)-
• 1«xi»,6«xi»,7«xi»-Cadina-4,9-diene
• 1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene, (1«alpha»,4a«alpha»,8a«alpha»)
• Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1R,4aR,8aS)-rel-
• Muurolene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[251.34; 698.30]	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			-8.33000e+01
Coefficient B			1.44068e+00
Coefficient C			-8.35280e-04
Coefficient D			1.76200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.34	J/mol×K	273.00	Calculated Property
Cp,gas	329.64	J/mol×K	353.78	Calculated Property
Cp,gas	399.48	J/mol×K	434.56	Calculated Property
Cp,gas	461.42	J/mol×K	515.33	Calculated Property
Cp,gas	516.01	J/mol×K	596.11	Calculated Property
Cp,gas	563.82	J/mol×K	676.89	Calculated Property
Cp,gas	605.39	J/mol×K	757.67	Calculated Property
Cp,gas	641.29	J/mol×K	838.44	Calculated Property
Cp,gas	672.08	J/mol×K	919.22	Calculated Property
Cp,gas	698.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020754; 0.0003653]	Pa×s	[287.93; 554.40]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.79213e+00
Coefficient B			1.04073e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			287.93
Temperature range, max.			554.40
η	0.0020754	Pa×s	287.93	Calculated Property
η	0.0014816	Pa×s	317.54	Calculated Property
η	0.0011203	Pa×s	347.15	Calculated Property
η	0.0008851	Pa×s	376.75	Calculated Property
η	0.0007238	Pa×s	406.36	Calculated Property
η	0.0006082	Pa×s	435.97	Calculated Property
η	0.0005226	Pa×s	465.58	Calculated Property
η	0.0004572	Pa×s	495.18	Calculated Property
η	0.0004061	Pa×s	524.79	Calculated Property
η	0.0003653	Pa×s	554.40	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Muurolene.

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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