Chemical Properties of 5«beta»,17«alpha»-Dihydroepitestosterone octadecanoate

InChI

InChI=1S/C37H64O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(39)40-34-23-22-32-31-21-20-29-28-30(38)24-26-36(29,2)33(31)25-27-37(32,34)3/h29,31-34H,4-28H2,1-3H3/t29-,31?,32?,33?,34-,36+,37+/m0/s1

InChI Key

KZAUIRNIQLKHJV-FGSFGQHJSA-N

Formula

C37H64O3

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C

Molecular Weight¹

556.90

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	68.12	kJ/mol	Joback Calculated Property
log10WS	-9.67		Relay (1.0) Calculated Property
logPoct/wat	10.772		Crippen Calculated Property
McVol	497.760	ml/mol	McGowan Calculated Property
Inp	[4220.46; 4220.46]
Inp	4220.46		NIST
Inp	4220.46		NIST
Tfus	367.55	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 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	[693.81; 1897.92]	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			-2.77644e+02
Coefficient B			4.35566e+00
Coefficient C			-3.19820e-03
Coefficient D			1.01810e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	693.81	J/mol×K	273.00	Calculated Property
Cp,gas	908.09	J/mol×K	353.78	Calculated Property
Cp,gas	1094.73	J/mol×K	434.56	Calculated Property
Cp,gas	1256.97	J/mol×K	515.33	Calculated Property
Cp,gas	1398.00	J/mol×K	596.11	Calculated Property
Cp,gas	1521.06	J/mol×K	676.89	Calculated Property
Cp,gas	1629.36	J/mol×K	757.67	Calculated Property
Cp,gas	1726.12	J/mol×K	838.44	Calculated Property
Cp,gas	1814.57	J/mol×K	919.22	Calculated Property
Cp,gas	1897.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5«beta»,17«alpha»-Dihydroepitestosterone octadecanoate.

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.
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