Chemical Properties of 5B-Estran-3A,17B-diol

InChI

InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11-,12?,13?,14?,15?,16?,17+,18?/m0/s1

InChI Key

QNKATSBSLLYTMH-WZCXBNJESA-N

Formula

C18H30O2

SMILES

CC12CCC3C4CCC(O)CC4CCC3C1CCC2O

Molecular Weight¹

278.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 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	[299.23; 947.12]	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			-2.55700e+02
Coefficient B			2.52332e+00
Coefficient C			-1.97600e-03
Coefficient D			6.55500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.23	J/mol×K	273.00	Calculated Property
Cp,gas	418.71	J/mol×K	353.78	Calculated Property
Cp,gas	521.47	J/mol×K	434.56	Calculated Property
Cp,gas	609.60	J/mol×K	515.33	Calculated Property
Cp,gas	685.16	J/mol×K	596.11	Calculated Property
Cp,gas	750.24	J/mol×K	676.89	Calculated Property
Cp,gas	806.90	J/mol×K	757.67	Calculated Property
Cp,gas	857.22	J/mol×K	838.44	Calculated Property
Cp,gas	903.27	J/mol×K	919.22	Calculated Property
Cp,gas	947.12	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5B-Estran-3A,17B-diol.

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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