Chemical Properties of Friedelan-3-one (CAS 559-74-0)

InChI

InChI=1S/C30H50O/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/h20,22-24H,9-19H2,1-8H3

InChI Key

OFMXGFHWLZPCFL-UHFFFAOYSA-N

Formula

C30H50O

SMILES

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

Molecular Weight¹

426.72

CAS

559-74-0

Other Names

• Friedelin
• D:A-Friedooleanan-3-one
• Friedeline
• Friedlein
• (4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-Octamethylicosahydropicen-3(2H)-one

• 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°	226.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-489.61	kJ/mol	Joback Calculated Property
ΔfusH°	16.51	kJ/mol	Joback Calculated Property
ΔvapH°	78.94	kJ/mol	Joback Calculated Property
log10WS	-8.72		Crippen Calculated Property
logPoct/wat	8.457		Crippen Calculated Property
McVol	380.830	ml/mol	McGowan Calculated Property
Pc	1018.78	kPa	Joback Calculated Property
Inp	[2858.00; 3510.60]
Inp	3510.60		NIST
Inp	2858.00		NIST
Inp	2858.00		NIST
Inp	3510.60		NIST
Inp	2858.00		NIST
Tboil	995.30	K	Joback Calculated Property
Tc	1256.59	K	Joback Calculated Property
Tfus	683.34	K	Joback Calculated Property
Vc	1.435	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1548.17; 2038.93]	J/mol×K	[995.30; 1256.59]
Cp,gas	1548.17	J/mol×K	995.30	Joback Calculated Property
Cp,gas	1610.31	J/mol×K	1038.85	Joback Calculated Property
Cp,gas	1678.89	J/mol×K	1082.40	Joback Calculated Property
Cp,gas	1754.96	J/mol×K	1125.95	Joback Calculated Property
Cp,gas	1839.61	J/mol×K	1169.49	Joback Calculated Property
Cp,gas	1933.91	J/mol×K	1213.04	Joback Calculated Property
Cp,gas	2038.93	J/mol×K	1256.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Friedelan-3-one.

Sources

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

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