Chemical Properties of 3Beta-hydroxy-16,17-secoestra-5(10),6,8-trien-17-oic acid

3Beta-hydroxy-16,17-secoestra-5(10),6,8-trien-17-oic acid

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InChI
InChI=1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h4,6,12,16,19H,3,5,7-10H2,1-2H3,(H,20,21)
InChI Key
UYDPGFTYMHWMBX-UHFFFAOYSA-N
Formula
C18H24O3
SMILES
CCC1c2ccc3c(c2CCC1(C)C(=O)O)CCC(O)C3
Molecular Weight1
288.38
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Physical Properties

Property Value Unit Source
ΔfG° -134.26 kJ/mol Joback Calculated Property
ΔfH°gas -501.59 kJ/mol Joback Calculated Property
ΔfusH° 31.87 kJ/mol Joback Calculated Property
ΔvapH° 98.74 kJ/mol Joback Calculated Property
log10WS -4.34 Crippen Calculated Property
logPoct/wat 3.067 Crippen Calculated Property
McVol 232.310 ml/mol McGowan Calculated Property
Pc 2287.14 kPa Joback Calculated Property
Tboil 908.68 K Joback Calculated Property
Tc 1125.44 K Joback Calculated Property
Tfus 576.67 K Joback Calculated Property
Vc 0.875 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [781.94; 883.40] J/mol×K [908.68; 1125.44] Show Hide
Cp,gas 781.94 J/mol×K 908.68 Joback Calculated Property
Cp,gas 798.50 J/mol×K 944.81 Joback Calculated Property
Cp,gas 814.98 J/mol×K 980.93 Joback Calculated Property
Cp,gas 831.55 J/mol×K 1017.06 Joback Calculated Property
Cp,gas 848.37 J/mol×K 1053.19 Joback Calculated Property
Cp,gas 865.60 J/mol×K 1089.32 Joback Calculated Property
Cp,gas 883.40 J/mol×K 1125.44 Joback Calculated Property

Similar Compounds

Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Strychnine. Nicocodine. Buprenorphine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Deserpidine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to 3Beta-hydroxy-16,17-secoestra-5(10),6,8-trien-17-oic acid.

Sources

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