Chemical Properties of 24-Norursa-3,12-dien-11-one (CAS 930591-92-7)

InChI

InChI=1S/C29H44O/c1-18-10-13-26(4)15-16-28(6)22(24(26)20(18)3)17-23(30)25-27(5)12-8-9-19(2)21(27)11-14-29(25,28)7/h9,17-18,20-21,24-25H,8,10-16H2,1-7H3

InChI Key

MRHRKEUKVNZEGQ-UHFFFAOYSA-N

Formula

C29H44O

SMILES

CC1=CCCC2(C)C1CCC1(C)C2C(=O)C=C2C3C(C)C(C)CCC3(C)CCC21C

Molecular Weight¹

408.66

CAS

930591-92-7

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4988		Relay (1.0) Calculated Property
ΔfG°	277.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.11	kJ/mol	Joback Calculated Property
ΔvapH°	124.43	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-6.82		Relay (1.0) Calculated Property
logPoct/wat	7.763		Crippen Calculated Property
McVol	358.140	ml/mol	McGowan Calculated Property
Pc	1073.57	kPa	Joback Calculated Property
Inp	[3351.80; 3351.80]
Inp	3351.80		NIST
Inp	3351.80		NIST
Tboil	692.44	K	Relay (1.0) Calculated Property
Tc	996.19	K	Relay (1.0) Calculated Property
Tfus	452.24	K	Relay (1.0) Calculated Property
Vc	1.276	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1396.93; 1740.78]	J/mol×K	[984.89; 1241.17]
Cp,gas	1396.93	J/mol×K	984.89	Joback Calculated Property
Cp,gas	1443.35	J/mol×K	1027.60	Joback Calculated Property
Cp,gas	1493.15	J/mol×K	1070.32	Joback Calculated Property
Cp,gas	1547.08	J/mol×K	1113.03	Joback Calculated Property
Cp,gas	1605.84	J/mol×K	1155.74	Joback Calculated Property
Cp,gas	1670.17	J/mol×K	1198.45	Joback Calculated Property
Cp,gas	1740.78	J/mol×K	1241.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 24-Norursa-3,12-dien-11-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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