Chemical Properties of 3«alpha»-5-Cyclo-ergosta-7,22-dien-6-one

InChI

InChI=1S/C28H42O/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(29)28-16-20(28)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-24H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20+,22?,23?,24?,26+,27+,28?/m1/s1

InChI Key

MDLVGBWIRYDJQI-AXOZAPSRSA-N

Formula

C28H42O

SMILES

CC(C)C(C)C=CC(C)C1CCC2C3=CC(=O)C45CC4CCC5(C)C3CCC21C

Molecular Weight¹

394.63

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1288.93; 1559.89]	J/mol×K	[948.46; 1189.98]
Cp,gas	1288.93	J/mol×K	948.46	Joback Calculated Property
Cp,gas	1326.36	J/mol×K	988.71	Joback Calculated Property
Cp,gas	1366.11	J/mol×K	1028.97	Joback Calculated Property
Cp,gas	1408.74	J/mol×K	1069.22	Joback Calculated Property
Cp,gas	1454.85	J/mol×K	1109.47	Joback Calculated Property
Cp,gas	1505.04	J/mol×K	1149.73	Joback Calculated Property
Cp,gas	1559.89	J/mol×K	1189.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3«alpha»-5-Cyclo-ergosta-7,22-dien-6-one.

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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