Chemical Properties of 5«alpha»-Stigmast-22-ene-3,6-dione

InChI

InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,18-20,22-26H,7,10-17H2,1-6H3/b9-8+/t19-,20-,22?,23-,24?,25?,26-,28-,29-/m0/s1

InChI Key

FJQGCLCMDPGZHC-GPRZXOKGSA-N

Formula

C29H46O2

SMILES

CCC(C=CC(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

426.67

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	169.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-586.05	kJ/mol	Joback Calculated Property
ΔfusH°	32.18	kJ/mol	Joback Calculated Property
ΔvapH°	84.72	kJ/mol	Joback Calculated Property
log10WS	-7.54		Crippen Calculated Property
logPoct/wat	7.268		Crippen Calculated Property
McVol	374.870	ml/mol	McGowan Calculated Property
Pc	964.47	kPa	Joback Calculated Property
Inp	[3598.00; 3598.00]
Inp	3598.00		NIST
Inp	3598.00		NIST
Tboil	1036.18	K	Joback Calculated Property
Tc	1283.61	K	Joback Calculated Property
Tfus	592.19	K	Joback Calculated Property
Vc	1.417	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1477.88; 1710.15]	J/mol×K	[1036.18; 1283.61]
Cp,gas	1477.88	J/mol×K	1036.18	Joback Calculated Property
Cp,gas	1513.24	J/mol×K	1077.42	Joback Calculated Property
Cp,gas	1549.43	J/mol×K	1118.66	Joback Calculated Property
Cp,gas	1586.83	J/mol×K	1159.89	Joback Calculated Property
Cp,gas	1625.83	J/mol×K	1201.13	Joback Calculated Property
Cp,gas	1666.81	J/mol×K	1242.37	Joback Calculated Property
Cp,gas	1710.15	J/mol×K	1283.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5«alpha»-Stigmast-22-ene-3,6-dione.

Sources

• 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.