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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	204.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-524.48	kJ/mol	Joback Calculated Property
ΔfusH°	22.16	kJ/mol	Joback Calculated Property
ΔvapH°	91.06	kJ/mol	Joback Calculated Property
log10WS	-8.81		Crippen Calculated Property
logPoct/wat	8.249		Crippen Calculated Property
McVol	385.130	ml/mol	McGowan Calculated Property
Pc	1034.57	kPa	Joback Calculated Property
Inp	[3123.00; 3123.00]
Inp	3123.00		NIST
Inp	3123.00		NIST
Tboil	1014.99	K	Joback Calculated Property
Tc	1257.85	K	Joback Calculated Property
Tfus	671.70	K	Joback Calculated Property
Vc	1.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1602.08; 2079.83]	J/mol×K	[1014.99; 1257.85]
Cp,gas	1602.08	J/mol×K	1014.99	Joback Calculated Property
Cp,gas	1663.28	J/mol×K	1055.47	Joback Calculated Property
Cp,gas	1730.65	J/mol×K	1095.94	Joback Calculated Property
Cp,gas	1805.09	J/mol×K	1136.42	Joback Calculated Property
Cp,gas	1887.50	J/mol×K	1176.90	Joback Calculated Property
Cp,gas	1978.78	J/mol×K	1217.37	Joback Calculated Property
Cp,gas	2079.83	J/mol×K	1257.85	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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