Chemical Properties of 1-Oxo-4«alpha»,5«alpha»-epoxyeudesm-2-en-11«beta»H,12,6«alpha»-olid

InChI

InChI=1S/C15H18O4/c1-8-9-4-6-13(2)10(16)5-7-14(3)15(13,19-14)11(9)18-12(8)17/h5,7-9,11H,4,6H2,1-3H3/t8-,9-,11+,13-,14-,15+/m1/s1

InChI Key

MKYVUZFLXXNOMQ-SZLRVMPYSA-N

Formula

C15H18O4

SMILES

CC1C(=O)OC2C1CCC1(C)C(=O)C=CC3(C)OC231

Molecular Weight¹

262.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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	[256.26; 742.91]	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			-2.62870e+02
Coefficient B			2.57306e+00
Coefficient C			-2.79478e-03
Coefficient D			1.22750e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.26	J/mol×K	273.00	Calculated Property
Cp,gas	351.98	J/mol×K	353.78	Calculated Property
Cp,gas	428.24	J/mol×K	434.56	Calculated Property
Cp,gas	488.90	J/mol×K	515.33	Calculated Property
Cp,gas	537.86	J/mol×K	596.11	Calculated Property
Cp,gas	578.99	J/mol×K	676.89	Calculated Property
Cp,gas	616.18	J/mol×K	757.67	Calculated Property
Cp,gas	653.31	J/mol×K	838.44	Calculated Property
Cp,gas	694.26	J/mol×K	919.22	Calculated Property
Cp,gas	742.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Oxo-4«alpha»,5«alpha»-epoxyeudesm-2-en-11«beta»H,12,6«alpha»-olid.

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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