Chemical Properties of Isoaromadendrene oxide

InChI

InChI=1S/C15H24O/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10)8-16-15/h9-13H,4-8H2,1-3H3/t9-,10+,11-,12-,13-,15?/m1/s1

InChI Key

XPGWKKLDFXNBPJ-IHWHIZQQSA-N

Formula

C15H24O

SMILES

CC1CCC2C1C1C(CCC23CO3)C1(C)C

Molecular Weight¹

220.35

• 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.
• 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, 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	[241.33; 768.08]	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			-2.81680e+02
Coefficient B			2.52416e+00
Coefficient C			-2.51170e-03
Coefficient D			1.03730e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.33	J/mol×K	273.00	Calculated Property
Cp,gas	342.88	J/mol×K	353.78	Calculated Property
Cp,gas	426.02	J/mol×K	434.56	Calculated Property
Cp,gas	494.04	J/mol×K	515.33	Calculated Property
Cp,gas	550.20	J/mol×K	596.11	Calculated Property
Cp,gas	597.79	J/mol×K	676.89	Calculated Property
Cp,gas	640.10	J/mol×K	757.67	Calculated Property
Cp,gas	680.39	J/mol×K	838.44	Calculated Property
Cp,gas	721.96	J/mol×K	919.22	Calculated Property
Cp,gas	768.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isoaromadendrene oxide.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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