Chemical Properties of 5-«beta»-cholestan-3«alpha»-ol, formate

InChI

InChI=1S/C28H48O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h18-26H,6-17H2,1-5H3

InChI Key

CPSQZDFMYGLDLH-UHFFFAOYSA-N

Formula

C28H48O2

SMILES

CC(C)CCCC(C)C1CCC2C3CCC4CC(OC=O)CCC4(C)C3CCC12C

Molecular Weight¹

416.68

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[1393.13; 1589.59]	J/mol×K	[940.35; 1164.45]
Cp,gas	1393.13	J/mol×K	940.35	Joback Calculated Property
Cp,gas	1424.57	J/mol×K	977.70	Joback Calculated Property
Cp,gas	1456.12	J/mol×K	1015.05	Joback Calculated Property
Cp,gas	1488.08	J/mol×K	1052.40	Joback Calculated Property
Cp,gas	1520.77	J/mol×K	1089.75	Joback Calculated Property
Cp,gas	1554.50	J/mol×K	1127.10	Joback Calculated Property
Cp,gas	1589.59	J/mol×K	1164.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-«beta»-cholestan-3«alpha»-ol, formate.

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

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