Chemical Properties of 1H-3a,7-Methanoazulene, octahydro-1,4,9,9-tetramethyl- (CAS 19078-35-4)

InChI

InChI=1S/C15H26/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h10-13H,5-9H2,1-4H3

InChI Key

MVZZUMCHPFHUOS-UHFFFAOYSA-N

Formula

C15H26

SMILES

CC1CCC23C(C)CCC(CC12)C3(C)C

Molecular Weight¹

206.37

CAS

19078-35-4

Other Names

• Patchulane

• 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[242.52; 770.60]	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			-2.53880e+02
Coefficient B			2.36668e+00
Coefficient C			-2.25900e-03
Coefficient D			9.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.52	J/mol×K	273.00	Calculated Property
Cp,gas	341.26	J/mol×K	353.78	Calculated Property
Cp,gas	423.22	J/mol×K	434.56	Calculated Property
Cp,gas	491.30	J/mol×K	515.33	Calculated Property
Cp,gas	548.40	J/mol×K	596.11	Calculated Property
Cp,gas	597.41	J/mol×K	676.89	Calculated Property
Cp,gas	641.23	J/mol×K	757.67	Calculated Property
Cp,gas	682.78	J/mol×K	838.44	Calculated Property
Cp,gas	724.93	J/mol×K	919.22	Calculated Property
Cp,gas	770.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1H-3a,7-Methanoazulene, octahydro-1,4,9,9-tetramethyl-.

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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