Chemical Properties of Secoandrost-5-ene-16-peroxyacetic acid, 16,17-,17-carboxy-3-beta-hydroxy-, oo-tert-butyl o-methyl ester

Secoandrost-5-ene-16-peroxyacetic acid, 16,17-,17-carboxy-3-beta-hydroxy-, oo-tert-butyl o-methyl ester

InChI
InChI=1S/C26H40O7/c1-16(27)31-18-10-12-25(5)17(14-18)8-9-19-20(25)11-13-26(6,23(29)30-7)21(19)15-22(28)32-33-24(2,3)4/h8,18-21H,9-15H2,1-7H3
InChI Key
IKTQPPCFEIUQLK-UHFFFAOYSA-N
Formula
C26H40O7
SMILES
COC(=O)C1(C)CCC2C(CC=C3CC(OC(C)=O)CCC32C)C1CC(=O)OOC(C)(C)C
Molecular Weight1
464.60
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Physical Properties

Property Value Unit Source
ΔfusH° 45.33 kJ/mol Joback Calculated Property
log10WS -4.77 Relay (1.0) Calculated Property
logPoct/wat 4.923 Crippen Calculated Property
McVol 368.510 ml/mol McGowan Calculated Property
Tfus 385.18 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 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 [520.22; 1353.39] 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-1.79909e+02
Coefficient B3.16564e+00
Coefficient C-2.41544e-03
Coefficient D7.83100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 520.22 J/mol×K 273.00 Calculated Property
Cp,gas 672.39 J/mol×K 353.78 Calculated Property
Cp,gas 803.87 J/mol×K 434.56 Calculated Property
Cp,gas 917.16 J/mol×K 515.33 Calculated Property
Cp,gas 1014.72 J/mol×K 596.11 Calculated Property
Cp,gas 1099.04 J/mol×K 676.89 Calculated Property
Cp,gas 1172.59 J/mol×K 757.67 Calculated Property
Cp,gas 1237.85 J/mol×K 838.44 Calculated Property
Cp,gas 1297.29 J/mol×K 919.22 Calculated Property
Cp,gas 1353.39 J/mol×K 1000.00 Calculated Property

Similar Compounds

5-Androstene-3beta,17beta-diol,16beta-ylacetic acid, lactone. Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone, acetate. Androst-5-en-16-one, 3,17-bis[(trifluoroacetyl)oxy]-, (3«beta»,17«beta»)-. 16Beta-carboxy-17alpha-pregn-5-en-3beta-ol-20-one-3-acetate. 5-Pregnen-3«beta»-ol-20-one, hexanoate. Pregnenolone palmitate. Androst-5-ene-16beta-propionic acid,3beta,17beta-dihydroxy-, delta-lactone. Androst-5-ene-3,17-diol, 3-acetate, (3«beta»,17«beta»)-. 5-Pregnen-3«beta»-ol-20-one, butyrate. 5,6-dehydroisoandrosterone acetate. Cholest-5-en-3-ol (3«beta»)-, 9-octadecenoate, (Z)-. Cholest-5-en-3-ol (3«beta»)-, tetradecanoate. Cholesteryl palmitate. Cholest-5-en-3-ol (3«beta»)-, nonanoate. Cholesteryl stearate.

Find more compounds similar to Secoandrost-5-ene-16-peroxyacetic acid, 16,17-,17-carboxy-3-beta-hydroxy-, oo-tert-butyl o-methyl ester.

Sources

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