Chemical Properties of Ursolic aldehyde (CAS 19132-81-1)

InChI

InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3

InChI Key

VLFUANNVMXKBPF-UHFFFAOYSA-N

Formula

C30H48O2

SMILES

CC1CCC2(C=O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

Molecular Weight¹

440.70

CAS

19132-81-1

• 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°	31.58	kJ/mol	Joback Calculated Property
logPoct/wat	7.204		Crippen Calculated Property
McVol	382.400	ml/mol	McGowan Calculated Property
Inp	[3615.50; 3615.50]
Inp	3615.50		NIST
Inp	3615.50		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	[497.88; 1529.91]	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			-4.86990e+02
Coefficient B			4.73474e+00
Coefficient C			-4.65864e-03
Coefficient D			1.94080e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	497.88	J/mol×K	273.00	Calculated Property
Cp,gas	690.92	J/mol×K	353.78	Calculated Property
Cp,gas	850.05	J/mol×K	434.56	Calculated Property
Cp,gas	981.40	J/mol×K	515.33	Calculated Property
Cp,gas	1091.11	J/mol×K	596.11	Calculated Property
Cp,gas	1185.33	J/mol×K	676.89	Calculated Property
Cp,gas	1270.17	J/mol×K	757.67	Calculated Property
Cp,gas	1351.79	J/mol×K	838.44	Calculated Property
Cp,gas	1436.33	J/mol×K	919.22	Calculated Property
Cp,gas	1529.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ursolic aldehyde.

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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