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
464.59
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Physical Properties

Property Value Unit Source
ω 0.8059 Relay (1.0) Calculated Property
ΔfG° -527.91 kJ/mol Joback Calculated Property
ΔfH°gas -1200.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.59 kJ/mol Joback Calculated Property
ΔvapH° 127.13 kJ/mol Relay (1.0) Calculated Property
IE 8.41 eV Relay (1.0) 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
Pc 1077.10 kPa Joback Calculated Property
Tboil 674.48 K Relay (1.0) Calculated Property
Tc 925.14 K Relay (1.0) Calculated Property
Tfus 398.29 K Relay (1.0) Calculated Property
Vc 1.342 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1405.83; 1604.24] J/mol×K [1074.52; 1317.76] Show Hide
Cp,gas 1405.83 J/mol×K 1074.52 Joback Calculated Property
Cp,gas 1435.89 J/mol×K 1115.06 Joback Calculated Property
Cp,gas 1466.75 J/mol×K 1155.60 Joback Calculated Property
Cp,gas 1498.71 J/mol×K 1196.14 Joback Calculated Property
Cp,gas 1532.08 J/mol×K 1236.68 Joback Calculated Property
Cp,gas 1567.15 J/mol×K 1277.22 Joback Calculated Property
Cp,gas 1604.24 J/mol×K 1317.76 Joback 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. Pregnenolone palmitate. 5-Pregnen-3«beta»-ol-20-one, hexanoate. 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. Cholesteryl normal-heptylate. Cholesterol margarate.

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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