Chemical Properties of Lanosta-7,9(11)-dien-3-ol, acetate, (3«beta»)- (CAS 5600-01-1)

InChI

InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h13,16,21-22,24,27-28H,10-12,14-15,17-20H2,1-9H3/t22-,24-,27+,28+,30-,31-,32+/m0/s1

InChI Key

FGNFBQUIVUFRIF-MTJKDGKCSA-N

Formula

C32H52O2

SMILES

CC(=O)OC1CCC2(C)C3=CCC4(C)C(C(C)CCCC(C)C)CCC4(C)C3=CCC2C1(C)C

Molecular Weight¹

468.75

CAS

5600-01-1

Other Names

• Lanosta-7,9(11)-dien-3«beta»-ol, acetate
• Dihydroagnosterol acetate
• 3«beta»-Acetoxylanosta-7,9(11)-diene
• Lanosta-7,9(11)-dien-3-yl acetate, (3«beta»)-
• 24-Dihydroagnosterol 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°	37.69	kJ/mol	Joback Calculated Property
logPoct/wat	8.906		Crippen Calculated Property
McVol	417.140	ml/mol	McGowan Calculated Property
Inp	[3286.00; 3286.00]
Inp	3286.00		NIST
Inp	3286.00		NIST
Tfus	393.37	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.04; 1587.88]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.68717e+02
Coefficient B			4.41368e+00
Coefficient C			-4.08228e-03
Coefficient D			1.62520e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	565.04	J/mol×K	273.00	Calculated Property
Cp,gas	753.77	J/mol×K	353.78	Calculated Property
Cp,gas	911.75	J/mol×K	434.56	Calculated Property
Cp,gas	1044.09	J/mol×K	515.33	Calculated Property
Cp,gas	1155.96	J/mol×K	596.11	Calculated Property
Cp,gas	1252.47	J/mol×K	676.89	Calculated Property
Cp,gas	1338.79	J/mol×K	757.67	Calculated Property
Cp,gas	1420.03	J/mol×K	838.44	Calculated Property
Cp,gas	1501.35	J/mol×K	919.22	Calculated Property
Cp,gas	1587.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Lanosta-7,9(11)-dien-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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.