Chemical Properties of 6,7-megastigmadiene-3,5,9-triol

InChI

InChI=1S/C12H20O3/c1-11(2)7-9(14)8-12(3,15)10(11)5-4-6-13/h4,9,13-15H,6-8H2,1-3H3

InChI Key

OCBHAQAXMWENRQ-UHFFFAOYSA-N

Formula

C12H20O3

SMILES

CC1(C)CC(O)CC(C)(O)C1=C=CCO

Molecular Weight¹

212.29

• 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	[245.91; 644.41]	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			-1.06449e+02
Coefficient B			1.67056e+00
Coefficient C			-1.56870e-03
Coefficient D			6.49000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.91	J/mol×K	273.00	Calculated Property
Cp,gas	316.96	J/mol×K	353.78	Calculated Property
Cp,gas	376.53	J/mol×K	434.56	Calculated Property
Cp,gas	426.67	J/mol×K	515.33	Calculated Property
Cp,gas	469.43	J/mol×K	596.11	Calculated Property
Cp,gas	506.87	J/mol×K	676.89	Calculated Property
Cp,gas	541.03	J/mol×K	757.67	Calculated Property
Cp,gas	573.98	J/mol×K	838.44	Calculated Property
Cp,gas	607.75	J/mol×K	919.22	Calculated Property
Cp,gas	644.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6,7-megastigmadiene-3,5,9-triol.

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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