Chemical Properties of Stigmastan-3,5,22-trien

InChI

InChI=1S/C29H46/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10-13,20-22,24-27H,7,9,14-19H2,1-6H3/b12-11+

InChI Key

NGUVUCVJXSBIEN-VAWYXSNFSA-N

Formula

C29H46

SMILES

CCC(C=CC(C)C1CCC2C3CC=C4C=CCCC4(C)C3CCC12C)C(C)C

Molecular Weight¹

394.68

Other Names

• 24-ethyl-«delta»3,5,22-Cholestatriene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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°	34.14	kJ/mol	Joback Calculated Property
logPoct/wat	8.606		Crippen Calculated Property
McVol	363.130	ml/mol	McGowan Calculated Property
Inp	[2981.00; 2990.00]
Inp	2990.00		NIST
Inp	2981.00		NIST
Inp	2990.00		NIST
Inp	2981.00		NIST
Tfus	393.87	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, Log10 of Water solubility in mol/l 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	[1300.89; 1503.28]	J/mol×K	[908.71; 1139.03]
Cp,gas	1300.89	J/mol×K	908.71	Joback Calculated Property
Cp,gas	1332.50	J/mol×K	947.10	Joback Calculated Property
Cp,gas	1364.44	J/mol×K	985.48	Joback Calculated Property
Cp,gas	1397.10	J/mol×K	1023.87	Joback Calculated Property
Cp,gas	1430.86	J/mol×K	1062.26	Joback Calculated Property
Cp,gas	1466.13	J/mol×K	1100.65	Joback Calculated Property
Cp,gas	1503.28	J/mol×K	1139.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Stigmastan-3,5,22-trien.

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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