Chemical Properties of 5«alpha»-Stigmast-22-ene-3,6-dione

5«alpha»-Stigmast-22-ene-3,6-dione

InChI
InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,18-20,22-26H,7,10-17H2,1-6H3/b9-8+/t19-,20-,22?,23-,24?,25?,26-,28-,29-/m0/s1
InChI Key
FJQGCLCMDPGZHC-GPRZXOKGSA-N
Formula
C29H46O2
SMILES
CCC(C=CC(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C)C(C)C
Molecular Weight1
426.67
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Physical Properties

Property Value Unit Source
ΔfusH° 32.18 kJ/mol Joback Calculated Property
logPoct/wat 7.268 Crippen Calculated Property
McVol 374.870 ml/mol McGowan Calculated Property
Inp [3598.00; 3598.00]   Show Hide
Inp 3598.00 NIST
Inp 3598.00 NIST
Tfus 438.28 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [499.18; 1447.24] 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-2.78579e+02
Coefficient B3.51992e+00
Coefficient C-2.70700e-03
Coefficient D9.12900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 499.18 J/mol×K 273.00 Calculated Property
Cp,gas 668.31 J/mol×K 353.78 Calculated Property
Cp,gas 814.75 J/mol×K 434.56 Calculated Property
Cp,gas 941.40 J/mol×K 515.33 Calculated Property
Cp,gas 1051.13 J/mol×K 596.11 Calculated Property
Cp,gas 1146.85 J/mol×K 676.89 Calculated Property
Cp,gas 1231.43 J/mol×K 757.67 Calculated Property
Cp,gas 1307.77 J/mol×K 838.44 Calculated Property
Cp,gas 1378.74 J/mol×K 919.22 Calculated Property
Cp,gas 1447.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,4:5,8-Dimethanonaphthalen-2(1H)-one, 3,4,4a,5,8,8a-hexahydro-, (1α,4α,4aβ,5β,8β,8aβ)-. 1,4:5,8-Dimethanonaphthalen-9-one, 1,4,4a,5,6,7,8,8a-octahydro-, (1α,4α,4aα,5β,8β,8aα)-. endo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-one. exo-Tricyclo[6,2,1,0(2,6)]dec-3-en-8-one. Bicyclo[2.2.1]hept-5-ene, 2-acetyl-. Androst-16-en-3-one, (5«alpha»)-. trans-2-Isopropylbicylclo[4.3.0]non-3-ene-8-one. Androst-2-en-17-one, (5.alpha.)-. Lophenone. exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one. endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-one. 5Alpha-androsta-1-ene-3,11,17-trione. (3S,4aR,5S,8aS)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-1(8aH)-one. Salsolene ketone. (3R,3aR,7S,8aS)-3,6,8,8-Tetramethyl-4,7,8,8a-tetrahydro-1H-3a,7-methanoazulen-2(3H)-one.

Find more compounds similar to 5«alpha»-Stigmast-22-ene-3,6-dione.

Sources

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