Chemical Properties of 24-Norursa-3,9(11),12-triene (CAS 930591-91-6)

InChI

InChI=1S/C29H44/c1-19-12-15-26(4)17-18-28(6)23(25(26)21(19)3)10-11-24-27(5)14-8-9-20(2)22(27)13-16-29(24,28)7/h9-11,19,21-22,25H,8,12-18H2,1-7H3

InChI Key

QSFCELCDWHMMTE-UHFFFAOYSA-N

Formula

C29H44

SMILES

CC1=CCCC2(C)C3=CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC12

Molecular Weight¹

392.66

CAS

930591-91-6

• 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

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	[448.54; 1372.88]	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			-4.26440e+02
Coefficient B			4.18784e+00
Coefficient C			-4.05492e-03
Coefficient D			1.66640e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	448.54	J/mol×K	273.00	Calculated Property
Cp,gas	621.40	J/mol×K	353.78	Calculated Property
Cp,gas	764.43	J/mol×K	434.56	Calculated Property
Cp,gas	882.89	J/mol×K	515.33	Calculated Property
Cp,gas	982.06	J/mol×K	596.11	Calculated Property
Cp,gas	1067.20	J/mol×K	676.89	Calculated Property
Cp,gas	1143.58	J/mol×K	757.67	Calculated Property
Cp,gas	1216.47	J/mol×K	838.44	Calculated Property
Cp,gas	1291.15	J/mol×K	919.22	Calculated Property
Cp,gas	1372.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 24-Norursa-3,9(11),12-triene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.