Chemical Properties of 3-Hydroxy-16,17-secoestra-1,3,5(10)-triene=16,17-dioic acid

3-Hydroxy-16,17-secoestra-1,3,5(10)-triene=16,17-dioic acid

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InChI
InChI=1S/C18H22O5/c1-18(17(22)23)7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3,(H,20,21)(H,22,23)
InChI Key
AFTZJBUXQQADGN-UHFFFAOYSA-N
Formula
C18H22O5
SMILES
CC1(C(=O)O)CCC2c3ccc(O)cc3CCC2C1CC(=O)O
Molecular Weight1
318.36
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Physical Properties

Property Value Unit Source
Δf -406.25 kJ/mol Joback Calculated Property
Δfgas -788.88 kJ/mol Joback Calculated Property
Δfus 41.10 kJ/mol Joback Calculated Property
Δvap 116.86 kJ/mol Joback Calculated Property
log10WS -3.20 Crippen Calculated Property
logPoct/wat 3.014 Crippen Calculated Property
McVol 239.750 ml/mol McGowan Calculated Property
Pc 2823.32 kPa Joback Calculated Property
Tboil 1028.54 K Joback Calculated Property
Tc 1263.57 K Joback Calculated Property
Tfus 709.04 K Joback Calculated Property
Vc 0.846 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [861.80; 1001.06] J/mol×K [1028.54; 1263.57] Show Hide
Cp,gas 861.80 J/mol×K 1028.54 Joback Calculated Property
Cp,gas 881.59 J/mol×K 1067.71 Joback Calculated Property
Cp,gas 902.41 J/mol×K 1106.88 Joback Calculated Property
Cp,gas 924.50 J/mol×K 1146.05 Joback Calculated Property
Cp,gas 948.14 J/mol×K 1185.22 Joback Calculated Property
Cp,gas 973.57 J/mol×K 1224.40 Joback Calculated Property
Cp,gas 1001.06 J/mol×K 1263.57 Joback Calculated Property

Similar Compounds

Estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17«beta»)-. Estrone. 3-Hydroxyestra-1,3,5(10)-triene-16,17-dione. Ethinyl Estradiol. 3,13Alpha-dihydroxy-13,17-secoestra-1,3,5(10)-trien-17-oic acid. «alpha»-Estradiol. Estradiol. Estriol. Epiestriol. D-Homoestra-1,3,5(10)-trien-17a-one,3-methoxy-,(8«alpha»)-. Estra-1,3,5(10)-trien-17-one, 3,16«alpha»-bis(trimethylsiloxy)-. 16B-Hydroxyoestrone, TMS. Oestrone, 16«beta»-hydroxy, TMS. Estradiol Cypionate. 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol.

Find more compounds similar to 3-Hydroxy-16,17-secoestra-1,3,5(10)-triene=16,17-dioic acid.

Sources

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