Chemical Properties of 5.beta.-Pregn-7-ene-3.alpha.,20.alpha.-diol

InChI

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h5,13-15,17-19,22-23H,4,6-12H2,1-3H3/t13-,14+,15+,17?,18?,19?,20?,21?/m0/s1

InChI Key

OSMCDXKOUCZPDS-NWLZJSMLSA-N

Formula

C21H34O2

SMILES

C[C@H](O)C1CCC2C3=CC[C@@H]4C[C@H](O)CCC4(C)C3CCC21C

Molecular Weight¹

318.50

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.29	kJ/mol	Joback Calculated Property
logPoct/wat	4.307		Crippen Calculated Property
McVol	270.750	ml/mol	McGowan Calculated Property
Inp	[2781.00; 2781.00]
Inp	2781.00		NIST
Inp	2781.00		NIST
Tfus	435.88	K	Relay (1.0) Calculated Property

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, 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	[352.44; 1068.76]	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			-2.93960e+02
Coefficient B			3.01716e+00
Coefficient C			-2.65064e-03
Coefficient D			9.96200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	352.44	J/mol×K	273.00	Calculated Property
Cp,gas	485.80	J/mol×K	353.78	Calculated Property
Cp,gas	598.37	J/mol×K	434.56	Calculated Property
Cp,gas	693.29	J/mol×K	515.33	Calculated Property
Cp,gas	773.72	J/mol×K	596.11	Calculated Property
Cp,gas	842.81	J/mol×K	676.89	Calculated Property
Cp,gas	903.71	J/mol×K	757.67	Calculated Property
Cp,gas	959.57	J/mol×K	838.44	Calculated Property
Cp,gas	1013.53	J/mol×K	919.22	Calculated Property
Cp,gas	1068.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5.beta.-Pregn-7-ene-3.alpha.,20.alpha.-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.
These property values are available through the Cheméo API. A free account gives you an access key.