Chemical Properties of 5«alpha»-Stigmastan-3-one

InChI

InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-22,24-27H,7-18H2,1-6H3/t20-,21?,22+,24?,25-,26?,27+,28+,29-/m0/s1

InChI Key

BVVFRHKBULZQCQ-MLGZKSPXSA-N

Formula

C29H50O

SMILES

CCC(CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

414.71

• 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°	32.46	kJ/mol	Joback Calculated Property
log10WS	-7.98		Relay (1.0) Calculated Property
logPoct/wat	8.313		Crippen Calculated Property
McVol	377.600	ml/mol	McGowan Calculated Property
Inp	[3300.00; 3370.00]
Inp	3370.00		NIST
Inp	3300.00		NIST
Inp	3370.00		NIST
Tfus	385.68	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	[506.82; 1478.69]	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			-3.00827e+02
Coefficient B			3.66822e+00
Coefficient C			-2.86720e-03
Coefficient D			9.78500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	506.82	J/mol×K	273.00	Calculated Property
Cp,gas	681.38	J/mol×K	353.78	Calculated Property
Cp,gas	832.08	J/mol×K	434.56	Calculated Property
Cp,gas	962.01	J/mol×K	515.33	Calculated Property
Cp,gas	1074.26	J/mol×K	596.11	Calculated Property
Cp,gas	1171.93	J/mol×K	676.89	Calculated Property
Cp,gas	1258.11	J/mol×K	757.67	Calculated Property
Cp,gas	1335.91	J/mol×K	838.44	Calculated Property
Cp,gas	1408.40	J/mol×K	919.22	Calculated Property
Cp,gas	1478.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5«alpha»-Stigmastan-3-one.

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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