Chemical Properties of D-Homoestra-1,3,5(10)-trien-17a-one,3-methoxy-,(8.alpha.)-

InChI

InChI=1S/C20H26O2/c1-20-10-9-17-16-7-5-15(22-2)11-13(16)3-6-18(17)19(20)8-4-14(21)12-20/h5,7,11,17-19H,3-4,6,8-10,12H2,1-2H3/t17?,18-,19?,20?/m0/s1

InChI Key

TUNMWZWFKFYHNV-MRXCCOFVSA-N

Formula

C20H26O2

SMILES

COc1ccc2c(c1)CC[C@H]1C2CCC2(C)CC(=O)CCC12

Molecular Weight¹

298.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 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	[312.71; 902.71]	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			-1.68810e+02
Coefficient B			2.16374e+00
Coefficient C			-1.60492e-03
Coefficient D			5.12700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.71	J/mol×K	273.00	Calculated Property
Cp,gas	418.50	J/mol×K	353.78	Calculated Property
Cp,gas	510.46	J/mol×K	434.56	Calculated Property
Cp,gas	590.19	J/mol×K	515.33	Calculated Property
Cp,gas	659.32	J/mol×K	596.11	Calculated Property
Cp,gas	719.47	J/mol×K	676.89	Calculated Property
Cp,gas	772.26	J/mol×K	757.67	Calculated Property
Cp,gas	819.32	J/mol×K	838.44	Calculated Property
Cp,gas	862.26	J/mol×K	919.22	Calculated Property
Cp,gas	902.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Homoestra-1,3,5(10)-trien-17a-one,3-methoxy-,(8.alpha.)-.

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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