Chemical Properties of D-Homoestra-1,3,5(10),6,8-pentaen-17a-one,3-methoxy-,(14.beta.)-

InChI

InChI=1S/C20H22O2/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/h3,5-7,11,19H,4,8-10,12H2,1-2H3/t19-,20?/m1/s1

InChI Key

CDRSYMMICFCUFM-XJDOXCRVSA-N

Formula

C20H22O2

SMILES

COc1ccc2c3c(ccc2c1)[C@H]1CCC(=O)CC1(C)CC3

Molecular Weight¹

294.39

• 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	[300.33; 820.71]	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			-1.36530e+02
Coefficient B			1.98574e+00
Coefficient C			-1.55620e-03
Coefficient D			5.27700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.33	J/mol×K	273.00	Calculated Property
Cp,gas	394.57	J/mol×K	353.78	Calculated Property
Cp,gas	475.82	J/mol×K	434.56	Calculated Property
Cp,gas	545.73	J/mol×K	515.33	Calculated Property
Cp,gas	605.98	J/mol×K	596.11	Calculated Property
Cp,gas	658.24	J/mol×K	676.89	Calculated Property
Cp,gas	704.17	J/mol×K	757.67	Calculated Property
Cp,gas	745.45	J/mol×K	838.44	Calculated Property
Cp,gas	783.74	J/mol×K	919.22	Calculated Property
Cp,gas	820.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Homoestra-1,3,5(10),6,8-pentaen-17a-one,3-methoxy-,(14.beta.)-.

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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