Chemical Properties of Estriol, trimethyl ether

InChI

InChI=1S/C21H30O3/c1-21-10-9-16-15-8-6-14(22-2)11-13(15)5-7-17(16)18(21)12-19(23-3)20(21)24-4/h6,8,11,16-20H,5,7,9-10,12H2,1-4H3

InChI Key

QIOWNWWZXNWWMP-UHFFFAOYSA-N

Formula

C21H30O3

SMILES

COc1ccc2c(c1)CCC1C2CCC2(C)C1CC(OC)C2OC

Molecular Weight¹

330.46

Other Names

• (16«alpha»,17«beta»)-3,16,17-Trimethoxyestra-1(10),2,4-triene

• 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).
• 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 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	[367.78; 1003.71]	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			-1.38150e+02
Coefficient B			2.25728e+00
Coefficient C			-1.61692e-03
Coefficient D			5.01500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.78	J/mol×K	273.00	Calculated Property
Cp,gas	480.26	J/mol×K	353.78	Calculated Property
Cp,gas	578.58	J/mol×K	434.56	Calculated Property
Cp,gas	664.33	J/mol×K	515.33	Calculated Property
Cp,gas	739.10	J/mol×K	596.11	Calculated Property
Cp,gas	804.47	J/mol×K	676.89	Calculated Property
Cp,gas	862.03	J/mol×K	757.67	Calculated Property
Cp,gas	913.37	J/mol×K	838.44	Calculated Property
Cp,gas	960.07	J/mol×K	919.22	Calculated Property
Cp,gas	1003.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Estriol, trimethyl ether.

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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