Chemical Properties of Dienestrol (CAS 84-17-3)

Dienestrol

InChI
InChI=1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
InChI Key
NFDFQCUYFHCNBW-SCGPFSFSSA-N
Formula
C18H18O2
SMILES
CC=C(C(=CC)c1ccc(O)cc1)c1ccc(O)cc1
Molecular Weight1
266.33
CAS
84-17-3
Other Names
  • 2,4-Hexadiene, 3,4-bis(4-hydroxyphenyl)-
  • 3,4-Bis(4-hydroxyphenyl)-2,4-hexadiene
  • 3,4-Bis(p-hydroxyphenyl)-2,4-hexadiene
  • 4,4'-(1,2-Diethylidene-1,2-ethanediyl)bisphenol
  • 4,4'-(Diethylideneethylene)diphenol
  • 4,4'-Dihydroxy-«gamma»,«delta»-diphenyl-«beta»,«delta»-hexadiene
  • Agaldog
  • Cycladiene
  • DV
  • Dehydrostilbestrol
  • Dehydrostilboestrol
  • Di(p-oxyphenyl)-2,4-hexadiene
  • Dienesterol
  • Dienoestrol
  • Dienoestrol bp
  • Dienol
  • Dinestrol
  • Dinovex
  • Estragard
  • Estraguard
  • Estrodienol
  • Estroral
  • Follidiene
  • Follormon
  • Gynefollin
  • Hormofemin
  • NSC 59809
  • Oestrasid
  • Oestrodiene
  • Oestrodienol
  • Oestroral
  • Oestrovis
  • Phenol, 4,4'-(1,2-diethylidene-1,2-ethanediyl)bis-
  • Phenol, 4,4'-(diethylideneethylene)di-
  • Restrol
  • Retalon
  • Sexadien
  • Synestrol
  • Teserene
  • Willnestrol
  • p,p'-(Diethylideneethylene)diphenol
  • para-Dien
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Physical Properties

Property Value Unit Source
ΔfH°gas -73.26 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.81 kJ/mol Joback Calculated Property
ΔvapH° 125.17 kJ/mol Relay (1.0) Calculated Property
IE 7.46 eV Relay (1.0) Calculated Property
log10WS [-4.95; -4.95]   Show Hide
log10WS -4.95 Aq. Solubility Prediction
log10WS -4.95 Estimated Solubility
logPoct/wat 4.605 Crippen Calculated Property
McVol 220.100 ml/mol McGowan Calculated Property
Pc 2853.57 kPa Joback Calculated Property
Tboil 658.99 K Relay (1.0) Calculated Property
Tc 948.01 K Relay (1.0) Calculated Property
Tfus 500.65 K Aq. Solubility Prediction

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [278.89; 694.05] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.26870e+02
Coefficient B1.90504e+00
Coefficient C-1.70272e-03
Coefficient D6.18600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 278.89 J/mol×K 273.00 Calculated Property
Cp,gas 361.37 J/mol×K 353.78 Calculated Property
Cp,gas 430.20 J/mol×K 434.56 Calculated Property
Cp,gas 487.33 J/mol×K 515.33 Calculated Property
Cp,gas 534.72 J/mol×K 596.11 Calculated Property
Cp,gas 574.33 J/mol×K 676.89 Calculated Property
Cp,gas 608.11 J/mol×K 757.67 Calculated Property
Cp,gas 638.02 J/mol×K 838.44 Calculated Property
Cp,gas 666.01 J/mol×K 919.22 Calculated Property
Cp,gas 694.05 J/mol×K 1000.00 Calculated Property

Similar Compounds

Phenol, 4,4'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-. 1,3,5,7-Cyclooctatetraene, 1-phenyl-. (2E)-1,3-bis(4-hydroxyphenyl)-2-buten-1-one. 1H-Indene, 1-ethylidene-. 1,1'-Binaphthalene, 3,3',4,4'-tetrahydro-. 2,3-diphenyl-3-hexene. 4,5-diphenyl-1,3-hexadiene. Diethylstilbestrol. 2,5-Dimethyl-3,4-diphenylcyclopentadienone. 1,3,6-Triphenylcycloheptatriene. Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-. Pyrrobutamine M (oxo), acetylated. Plicatin B. 2-dehydro-O -demethylangolensin [ 1 -(2',4"-dihydroxyphenyl)-2-(4"-hydroxyphenyl)-prop-2-en- 1-one]. P-quinone, p-ethoxyphenyl.

Find more compounds similar to Dienestrol.

Sources

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