Chemical Properties of 7,24(28)-Ergostadienol acetate

InChI

InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h11,19,21,23-24,26-28H,3,8-10,12-18H2,1-2,4-7H3/t21-,23?,24-,26?,27?,28?,29-,30+/m1/s1

InChI Key

MITHMFYJJFILDI-JOINPANLSA-N

Formula

C30H48O2

SMILES

C=C(CCC(C)C1CCC2C3=CCC4CC(OC(C)=O)CCC4(C)C3CCC21C)C(C)C

Molecular Weight¹

440.70

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.73; 1475.60]	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			-2.91678e+02
Coefficient B			3.73522e+00
Coefficient C			-3.01324e-03
Coefficient D			1.04530e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	524.73	J/mol×K	273.00	Calculated Property
Cp,gas	698.91	J/mol×K	353.78	Calculated Property
Cp,gas	848.24	J/mol×K	434.56	Calculated Property
Cp,gas	976.04	J/mol×K	515.33	Calculated Property
Cp,gas	1085.60	J/mol×K	596.11	Calculated Property
Cp,gas	1180.23	J/mol×K	676.89	Calculated Property
Cp,gas	1263.25	J/mol×K	757.67	Calculated Property
Cp,gas	1337.94	J/mol×K	838.44	Calculated Property
Cp,gas	1407.62	J/mol×K	919.22	Calculated Property
Cp,gas	1475.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 7,24(28)-Ergostadienol 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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