Chemical Properties of (4aR,8aS)-4a-Methyl-1-methylene-7-(propan-2-ylidene)decahydronaphthalene (CAS 58893-88-2)

InChI

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3

InChI Key

RMZHSBMIZBMVMN-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1CCCC2(C)CCC(=C(C)C)CC12

Molecular Weight¹

204.35

CAS

58893-88-2

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[242.28; 700.95]	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			-1.48010e+02
Coefficient B			1.78906e+00
Coefficient C			-1.45800e-03
Coefficient D			5.17900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.28	J/mol×K	273.00	Calculated Property
Cp,gas	325.37	J/mol×K	353.78	Calculated Property
Cp,gas	396.61	J/mol×K	434.56	Calculated Property
Cp,gas	457.63	J/mol×K	515.33	Calculated Property
Cp,gas	510.08	J/mol×K	596.11	Calculated Property
Cp,gas	555.58	J/mol×K	676.89	Calculated Property
Cp,gas	595.78	J/mol×K	757.67	Calculated Property
Cp,gas	632.32	J/mol×K	838.44	Calculated Property
Cp,gas	666.83	J/mol×K	919.22	Calculated Property
Cp,gas	700.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (4aR,8aS)-4a-Methyl-1-methylene-7-(propan-2-ylidene)decahydronaphthalene.

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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