Chemical Properties of Cholest-7-en-3-ol, acetate, (3«beta»)- (CAS 17137-70-1)

InChI

InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-20,22-23,25-27H,7-10,12-18H2,1-6H3/t20-,22?,23?,25-,26+,27+,28+,29-/m0/s1

InChI Key

BHZSLZOJNSDNOI-JBJFYEOLSA-N

Formula

C29H48O2

SMILES

CC(=O)OC1CCC2(C)C(CC=C3C2CCC2(C)C3CCC2C(C)CCCC(C)C)C1

Molecular Weight¹

428.69

CAS

17137-70-1

Other Names

• Cholest-7-en-3«beta»-ol, acetate
• 3«beta»-Acetoxycholest-7-ene
• Cholest-7-en-3-ol acetate
• 7-Cholestenol acetate

• 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°	40.10	kJ/mol	Joback Calculated Property
logPoct/wat	7.960		Crippen Calculated Property
McVol	379.170	ml/mol	McGowan Calculated Property
Inp	[3228.00; 3228.00]
Inp	3228.00		NIST
Inp	3228.00		NIST
Tfus	370.38	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	[1432.94; 1641.50]	J/mol×K	[977.25; 1206.29]
Cp,gas	1432.94	J/mol×K	977.25	Joback Calculated Property
Cp,gas	1465.33	J/mol×K	1015.42	Joback Calculated Property
Cp,gas	1498.23	J/mol×K	1053.60	Joback Calculated Property
Cp,gas	1531.96	J/mol×K	1091.77	Joback Calculated Property
Cp,gas	1566.85	J/mol×K	1129.94	Joback Calculated Property
Cp,gas	1603.25	J/mol×K	1168.11	Joback Calculated Property
Cp,gas	1641.50	J/mol×K	1206.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholest-7-en-3-ol, acetate, (3«beta»)-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.