Chemical Properties of Androstane-17beta-carboxylic acid,5alpha,6beta-dichloro-3-hydroxy-, acetate (CAS 116405-12-0)

Androstane-17beta-carboxylic acid,5alpha,6beta-dichloro-3-hydroxy-, acetate

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InChI
InChI=1S/C22H32Cl2O4/c1-12(25)28-13-6-9-21(3)16-7-8-20(2)15(4-5-17(20)19(26)27)14(16)10-18(23)22(21,24)11-13/h13-18H,4-11H2,1-3H3,(H,26,27)
InChI Key
QQUMOUYAMOTHCF-UHFFFAOYSA-N
Formula
C22H32Cl2O4
SMILES
CC(=O)OC1CCC2(C)C3CCC4(C)C(C(=O)O)CCC4C3CC(Cl)C2(Cl)C1
Molecular Weight1
431.39
CAS
116405-12-0
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Physical Properties

Property Value Unit Source
ΔfG° -261.68 kJ/mol Joback Calculated Property
ΔfH°gas -834.08 kJ/mol Joback Calculated Property
ΔfusH° 38.10 kJ/mol Joback Calculated Property
ΔvapH° 101.43 kJ/mol Joback Calculated Property
log10WS -5.76 Crippen Calculated Property
logPoct/wat 5.240 Crippen Calculated Property
McVol 316.760 ml/mol McGowan Calculated Property
Pc 1493.04 kPa Joback Calculated Property
Tboil 1025.64 K Joback Calculated Property
Tc 1267.28 K Joback Calculated Property
Tfus 685.11 K Joback Calculated Property
Vc 1.192 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1190.33; 1447.97] J/mol×K [1025.64; 1267.28] Show Hide
Cp,gas 1190.33 J/mol×K 1025.64 Joback Calculated Property
Cp,gas 1225.28 J/mol×K 1065.91 Joback Calculated Property
Cp,gas 1262.79 J/mol×K 1106.19 Joback Calculated Property
Cp,gas 1303.34 J/mol×K 1146.46 Joback Calculated Property
Cp,gas 1347.41 J/mol×K 1186.73 Joback Calculated Property
Cp,gas 1395.46 J/mol×K 1227.01 Joback Calculated Property
Cp,gas 1447.97 J/mol×K 1267.28 Joback Calculated Property

Similar Compounds

«alpha»-Terpineol, 6-O-(«alpha»-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. Dimetindene M (nor), acetylated. Florosenine (otonecine-acetyljacobine). Florosenine. Ouabain. Pseudo uridine penta-tms. Solasodiene. Zinc octaethylporphyrin chloride. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Cytidine, metho-oxime-TMS derivative. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, buto-oxime-TMS derivative. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. Retroisosenine.

Find more compounds similar to Androstane-17beta-carboxylic acid,5alpha,6beta-dichloro-3-hydroxy-, acetate.

Sources

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