Chemical Properties of Aldehyde of bryodulcosigenine 5

Aldehyde of bryodulcosigenine 5

InChI
InChI=1S/C27H42O3/c1-17(8-7-15-28)18-13-14-25(4)21-11-9-19-20(10-12-22(29)24(19,2)3)27(21,6)23(30)16-26(18,25)5/h9,15,17-18,20-22,29H,7-8,10-14,16H2,1-6H3
InChI Key
CONXLKZYRPNXQH-UHFFFAOYSA-N
Formula
C27H42O3
SMILES
CC(CCC=O)C1CCC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(C)C(=O)CC12C
Molecular Weight1
414.63
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Physical Properties

Property Value Unit Source
ΔfusH° 30.01 kJ/mol Joback Calculated Property
logPoct/wat 5.747 Crippen Calculated Property
McVol 352.560 ml/mol McGowan Calculated Property

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 [472.92; 1370.86] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.50918e+02
Coefficient B3.91672e+00
Coefficient C-3.70544e-03
Coefficient D1.51050e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 472.92 J/mol×K 273.00 Calculated Property
Cp,gas 637.84 J/mol×K 353.78 Calculated Property
Cp,gas 775.34 J/mol×K 434.56 Calculated Property
Cp,gas 890.17 J/mol×K 515.33 Calculated Property
Cp,gas 987.12 J/mol×K 596.11 Calculated Property
Cp,gas 1070.97 J/mol×K 676.89 Calculated Property
Cp,gas 1146.49 J/mol×K 757.67 Calculated Property
Cp,gas 1218.47 J/mol×K 838.44 Calculated Property
Cp,gas 1291.66 J/mol×K 919.22 Calculated Property
Cp,gas 1370.86 J/mol×K 1000.00 Calculated Property

Similar Compounds

Androst-5-en-17-one, 3,19-dihydroxy-, (3«beta»)-. Prasterone. Pregn-5-en-20-one, 3,17-dihydroxy-, (3«beta»)-. 22-Ketocholesterol. 5-Eudesmen-1-ol. Ursolic aldehyde. PREGN-5-EN-20-ONE, 3-HYDROXY-. Pregnenolone. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. 3B,16A,20A-Trihydroxypregn-5-ene, tris-TMS. Androst-5-en-11-one, 3,17-bis[(trimethylsilyl)oxy]-, (3«beta»,17«beta»)-. 3B-Hydroxy-androstan-5-en-17-one, enol, bis-TMS. 4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate. Cortisone Acetate. 5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone.

Find more compounds similar to Aldehyde of bryodulcosigenine 5.

Sources

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