Chemical Properties of Desmosterol (CAS 313-04-2)

InChI

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19?,21-,22?,23?,24?,25?,26?,27?/m1/s1

InChI Key

AVSXSVCZWQODGV-VUDDDUNTSA-N

Formula

C27H44O

SMILES

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

Molecular Weight¹

384.64

CAS

313-04-2

Other Names

• 24-Dehydrocholesterol
• Cholesta-5,24-dien-3-ol
• Cholesta-5,24-dien-3-ol, (3«beta»)-
• Cholesta-5,24-dien-3«beta»-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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

Property	Value	Unit	Source
ΔfusH°	38.63	kJ/mol	Joback Calculated Property
ΔvapH°	146.82	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	7.309		Crippen Calculated Property
McVol	345.120	ml/mol	McGowan Calculated Property
Inp	[3125.00; 3163.00]
Inp	3155.00		NIST
Inp	3163.00		NIST
Inp	3125.00		NIST
Inp	3163.00		NIST
Tboil	688.16	K	Relay (1.0) Calculated Property
Tfus	393.70	K	Solubility of Desmosterol in Five Organic Solvents

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	[1289.60; 1490.14]	J/mol×K	[952.06; 1176.54]
Cp,gas	1289.60	J/mol×K	952.06	Joback Calculated Property
Cp,gas	1320.09	J/mol×K	989.47	Joback Calculated Property
Cp,gas	1351.29	J/mol×K	1026.89	Joback Calculated Property
Cp,gas	1383.55	J/mol×K	1064.30	Joback Calculated Property
Cp,gas	1417.21	J/mol×K	1101.71	Joback Calculated Property
Cp,gas	1452.63	J/mol×K	1139.13	Joback Calculated Property
Cp,gas	1490.14	J/mol×K	1176.54	Joback Calculated Property
ΔfusH	15.90	kJ/mol	388.20	NIST

Similar Compounds

Find more compounds similar to Desmosterol.

Mixtures

• n-Hexane + Ethanol + Desmosterol
• Desmosterol + Methyl Alcohol
• Ethanol + Desmosterol
• Desmosterol + Acetone
• Desmosterol + Ethyl Acetate
• Acetonitrile + Desmosterol

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
• Solubilities of cholesterol and desmosterol in binary solvent mixtures of n-hexane + ethanol
• Solubility of Desmosterol in Five Organic Solvents
• Joback Method
• McGowan Method
• NIST Webbook

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