Chemical Properties of D:A-Friedooleanan-3-ol, (3«alpha»)- (CAS 5085-72-3)

InChI

InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3

InChI Key

XCDQFROEGGNAER-UHFFFAOYSA-N

Formula

C30H52O

SMILES

CC1C(O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C

Molecular Weight¹

428.73

CAS

5085-72-3

Other Names

• D:A-Friedooleanan-3«alpha»-ol
• Friedelan-3«alpha»-ol
• Friedelanol
• Friedelinol
• Friedelan-3-ol

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.16	kJ/mol	Joback Calculated Property
logPoct/wat	8.249		Crippen Calculated Property
McVol	385.130	ml/mol	McGowan Calculated Property
Inp	[3123.00; 3123.00]
Inp	3123.00		NIST
Inp	3123.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[492.96; 1580.80]	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			-5.70460e+02
Coefficient B			5.16766e+00
Coefficient C			-5.27800e-03
Coefficient D			2.26160e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	492.96	J/mol×K	273.00	Calculated Property
Cp,gas	697.30	J/mol×K	353.78	Calculated Property
Cp,gas	864.07	J/mol×K	434.56	Calculated Property
Cp,gas	1000.45	J/mol×K	515.33	Calculated Property
Cp,gas	1113.58	J/mol×K	596.11	Calculated Property
Cp,gas	1210.61	J/mol×K	676.89	Calculated Property
Cp,gas	1298.69	J/mol×K	757.67	Calculated Property
Cp,gas	1384.99	J/mol×K	838.44	Calculated Property
Cp,gas	1476.64	J/mol×K	919.22	Calculated Property
Cp,gas	1580.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D:A-Friedooleanan-3-ol, (3«alpha»)-.

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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