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

Dienestrol

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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
Sources

Physical Properties

Property Value Unit Source
Δf 159.60 kJ/mol Joback Calculated Property
Δfgas -81.55 kJ/mol Joback Calculated Property
Δfus 39.81 kJ/mol Joback Calculated Property
Δvap 86.32 kJ/mol Joback Calculated Property
logPoct/wat 4.60 Crippen Calculated Property
Pc 2853.57 kPa Joback Calculated Property
Tboil 833.92 K Joback Calculated Property
Tc 1094.51 K Joback Calculated Property
Tfus 530.82 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 636.41 J/mol×K 833.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< 2
=CH- (ring) 8
=C< (ring) 4
=CH- 2
-CH3 2
-OH (phenol) 2

Similar Compounds

2,3-diphenyl-3-hexene. 4,5-diphenyl-1,3-hexadiene. 1,3,5,7-Cyclooctatetraene, 1-phenyl-. 1,1'-Binaphthalene, 3,3',4,4'-tetrahydro-. Propoxyphene M (des-Ac, dehydro). Pyrrolidine, 1-[4-(4-chlorophenyl)-3-phenyl-2-butenyl]-. (2E)-1,3-bis(4-hydroxyphenyl)-2-buten-1-one. Phenol, 4,4'-(1,3,3-trimethyl-1-propene-1,3-diyl)bis-. Benzene, 1,1',1'',1'''-(1,3-butadiene-1,2,3,4-tetrayl)tetrakis-. Diethylstilbesterol. 2,5-Dimethyl-3,4-diphenylcyclopentadienone. (2E)-1,3-bis(4-ethoxyphenyl)-2-buten-1-one. Pyrrobutamine M (oxo), acetylated. (1-METHYLENEBUT-2-ENYL)BENZENE. 2-dehydro-O -demethylangolensin [ 1 -(2',4"-dihydroxyphenyl)-2-(4"-hydroxyphenyl)-prop-2-en- 1-one].

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