Chemical Properties of 24-Ethyl-31-nor-8,25-lanostadienol acetate

InChI

InChI=1S/C33H54O2/c1-10-24(11-2)13-12-22(3)25-16-20-33(9)27-14-15-28-30(5,6)29(35-23(4)34)18-19-31(28,7)26(27)17-21-32(25,33)8/h10,22,25,28-29H,11-21H2,1-9H3/b24-10+/t22-,25?,28?,29-,31+,32+,33-/m1/s1

InChI Key

PTEZIKVWECIONK-RGVKLLQESA-N

Formula

C33H54O2

SMILES

CC=C(CC)CCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3

Molecular Weight¹

482.78

• 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

Property	Value	Unit	Source
ΔfusH°	41.47	kJ/mol	Joback Calculated Property
logPoct/wat	9.440		Crippen Calculated Property
McVol	431.230	ml/mol	McGowan Calculated Property
Inp	[3399.00; 3399.00]
Inp	3399.00		NIST
Inp	3399.00		NIST

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	[579.19; 1639.38]	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			-3.89597e+02
Coefficient B			4.57868e+00
Coefficient C			-4.23230e-03
Coefficient D			1.68260e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	579.19	J/mol×K	273.00	Calculated Property
Cp,gas	775.03	J/mol×K	353.78	Calculated Property
Cp,gas	938.95	J/mol×K	434.56	Calculated Property
Cp,gas	1076.26	J/mol×K	515.33	Calculated Property
Cp,gas	1192.28	J/mol×K	596.11	Calculated Property
Cp,gas	1292.35	J/mol×K	676.89	Calculated Property
Cp,gas	1381.77	J/mol×K	757.67	Calculated Property
Cp,gas	1465.86	J/mol×K	838.44	Calculated Property
Cp,gas	1549.96	J/mol×K	919.22	Calculated Property
Cp,gas	1639.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 24-Ethyl-31-nor-8,25-lanostadienol 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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