Chemical Properties of Lanostan-3-yl acetate

InChI

InChI=1S/C32H56O2/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/h21-22,24-28H,10-20H2,1-9H3

InChI Key

GBJJVPUZVRPWOZ-UHFFFAOYSA-N

Formula

C32H56O2

SMILES

CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4(C)C3CCC2C1(C)C

Molecular Weight¹

472.79

Other Names

• Cl4502
• Lanostanol 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°	38.16	kJ/mol	Joback Calculated Property
logPoct/wat	9.066		Crippen Calculated Property
McVol	425.740	ml/mol	McGowan Calculated Property
Inp	[3393.00; 3393.00]
Inp	3393.00		NIST
Inp	3393.00		NIST
Tfus	397.77	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	[577.41; 1669.88]	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			-4.00997e+02
Coefficient B			4.59168e+00
Coefficient C			-4.13100e-03
Coefficient D			1.61020e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	577.41	J/mol×K	273.00	Calculated Property
Cp,gas	777.70	J/mol×K	353.78	Calculated Property
Cp,gas	946.39	J/mol×K	434.56	Calculated Property
Cp,gas	1088.55	J/mol×K	515.33	Calculated Property
Cp,gas	1209.29	J/mol×K	596.11	Calculated Property
Cp,gas	1313.71	J/mol×K	676.89	Calculated Property
Cp,gas	1406.88	J/mol×K	757.67	Calculated Property
Cp,gas	1493.90	J/mol×K	838.44	Calculated Property
Cp,gas	1579.87	J/mol×K	919.22	Calculated Property
Cp,gas	1669.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Lanostan-3-yl acetate.

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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