Chemical Properties of Trans-androsterone, octanoate

InChI

InChI=1S/C27H44O3/c1-4-5-6-7-8-9-25(29)30-20-14-16-26(2)19(18-20)10-11-21-22-12-13-24(28)27(22,3)17-15-23(21)26/h19-23H,4-18H2,1-3H3

InChI Key

BTEOMWNRKOOBJV-UHFFFAOYSA-N

Formula

C27H44O3

SMILES

CCCCCCCC(=O)OC1CCC2(C)C(CCC3C4CCC(=O)C4(C)CCC32)C1

Molecular Weight¹

416.64

• 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°	42.22	kJ/mol	Joback Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	6.870		Crippen Calculated Property
McVol	356.860	ml/mol	McGowan Calculated Property
Inp	[2788.00; 2788.00]
Inp	2788.00		NIST
Inp	2788.00		NIST
Tfus	374.52	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	[481.67; 1382.01]	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			-2.68554e+02
Coefficient B			3.40566e+00
Coefficient C			-2.65420e-03
Coefficient D			8.99100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	481.67	J/mol×K	273.00	Calculated Property
Cp,gas	643.91	J/mol×K	353.78	Calculated Property
Cp,gas	783.96	J/mol×K	434.56	Calculated Property
Cp,gas	904.67	J/mol×K	515.33	Calculated Property
Cp,gas	1008.89	J/mol×K	596.11	Calculated Property
Cp,gas	1099.45	J/mol×K	676.89	Calculated Property
Cp,gas	1179.19	J/mol×K	757.67	Calculated Property
Cp,gas	1250.97	J/mol×K	838.44	Calculated Property
Cp,gas	1317.63	J/mol×K	919.22	Calculated Property
Cp,gas	1382.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Trans-androsterone, octanoate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.