Chemical Properties of 3-Hydroxy-17alpha-oxa-d-homoestra-1,3,5(10),6,8-pentaen-17-one (CAS 101790-02-7)

3-Hydroxy-17alpha-oxa-d-homoestra-1,3,5(10),6,8-pentaen-17-one

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InChI
InChI=1S/C18H18O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h2-5,10,16,19H,6-9H2,1H3
InChI Key
CNAZCZPBIZXVKY-UHFFFAOYSA-N
Formula
C18H18O3
SMILES
CC12CCc3c(ccc4cc(O)ccc34)C1CCC(=O)O2
Molecular Weight1
282.33
CAS
101790-02-7
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Physical Properties

Property Value Unit Source
ΔfG° 28.96 kJ/mol Joback Calculated Property
ΔfH°gas -308.68 kJ/mol Joback Calculated Property
ΔfusH° 31.70 kJ/mol Joback Calculated Property
ΔvapH° 81.69 kJ/mol Joback Calculated Property
log10WS -4.83 Crippen Calculated Property
logPoct/wat 3.671 Crippen Calculated Property
McVol 212.850 ml/mol McGowan Calculated Property
Pc 2859.68 kPa Joback Calculated Property
Tboil 864.51 K Joback Calculated Property
Tc 1136.77 K Joback Calculated Property
Tfus 636.03 K Joback Calculated Property
Vc 0.748 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [684.87; 813.28] J/mol×K [864.51; 1136.77] Show Hide
Cp,gas 684.87 J/mol×K 864.51 Joback Calculated Property
Cp,gas 704.28 J/mol×K 909.89 Joback Calculated Property
Cp,gas 723.96 J/mol×K 955.26 Joback Calculated Property
Cp,gas 744.30 J/mol×K 1000.64 Joback Calculated Property
Cp,gas 765.71 J/mol×K 1046.02 Joback Calculated Property
Cp,gas 788.57 J/mol×K 1091.40 Joback Calculated Property
Cp,gas 813.28 J/mol×K 1136.77 Joback Calculated Property

Similar Compounds

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Sources

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