Chemical Properties of 27-Nor-7,22-ergostadienol (E) acetate

InChI

InChI=1S/C29H46O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-20,22-23,25-27H,7,10,12-18H2,1-6H3/b9-8-/t19?,20-,22?,23-,25?,26?,27?,28-,29+/m0/s1

InChI Key

XLIKXAKGCHDHKD-ZYFMDENBSA-N

Formula

C29H46O2

SMILES

CCC(C)/C=C/[C@H](C)C1CCC2C3=CCC4C[C@@H](OC(C)=O)CC[C@]4(C)C3CC[C@@]21C

Molecular Weight¹

426.68

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1392.11; 1597.72]	J/mol×K	[963.54; 1194.38]
Cp,gas	1392.11	J/mol×K	963.54	Joback Calculated Property
Cp,gas	1423.88	J/mol×K	1002.01	Joback Calculated Property
Cp,gas	1456.17	J/mol×K	1040.49	Joback Calculated Property
Cp,gas	1489.33	J/mol×K	1078.96	Joback Calculated Property
Cp,gas	1523.74	J/mol×K	1117.44	Joback Calculated Property
Cp,gas	1559.74	J/mol×K	1155.91	Joback Calculated Property
Cp,gas	1597.72	J/mol×K	1194.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 27-Nor-7,22-ergostadienol (E) acetate.

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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