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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6179		Relay (1.0) Calculated Property
ΔfG°	169.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-615.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.18	kJ/mol	Joback Calculated Property
ΔvapH°	125.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-6.91		Relay (1.0) 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	696.03	K	Relay (1.0) Calculated Property
Tc	990.50	K	Relay (1.0) Calculated Property
Tfus	449.62	K	Relay (1.0) Calculated Property
Vc	1.287	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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