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

InChI

InChI=1S/C31H52O3/c1-4-5-6-7-8-9-10-11-12-13-29(33)34-28-17-16-26-25-15-14-23-22-24(32)18-20-30(23,2)27(25)19-21-31(26,28)3/h23,25-28H,4-22H2,1-3H3/t23-,25?,26?,27?,28-,30+,31+/m0/s1

InChI Key

BTKHMAJQYKSLGC-NYFPNFLXSA-N

Formula

C31H52O3

SMILES

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

Molecular Weight¹

472.74

• 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°	51.00	kJ/mol	Joback Calculated Property
log10WS	-7.89		Relay (1.0) Calculated Property
logPoct/wat	8.431		Crippen Calculated Property
McVol	413.220	ml/mol	McGowan Calculated Property
Inp	[3542.61; 3542.61]
Inp	3542.61		NIST
Inp	3542.61		NIST
Tfus	383.11	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1666.72; 1917.24]	J/mol×K	[1087.57; 1331.61]
Cp,gas	1666.72	J/mol×K	1087.57	Joback Calculated Property
Cp,gas	1704.36	J/mol×K	1128.24	Joback Calculated Property
Cp,gas	1743.14	J/mol×K	1168.92	Joback Calculated Property
Cp,gas	1783.43	J/mol×K	1209.59	Joback Calculated Property
Cp,gas	1825.63	J/mol×K	1250.26	Joback Calculated Property
Cp,gas	1870.11	J/mol×K	1290.94	Joback Calculated Property
Cp,gas	1917.24	J/mol×K	1331.61	Joback Calculated Property

Similar Compounds

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

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.