Chemical Properties of Diethylstilbestrol (CAS 56-53-1)

InChI

InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

InChI Key

RGLYKWWBQGJZGM-ISLYRVAYSA-N

Formula

C18H20O2

SMILES

CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1

Molecular Weight¹

268.35

CAS

56-53-1

Other Names

• (E)-3,4-Bis(4-hydroxyphenyl)-3-hexene
• (E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol
• 3,4-(Di-4-hydroxyphenyl)hex-3-ene, (E)-
• 3,4-Bis(p-hydroxyphenyl)-3-hexene, trans
• 3-Hexene,3,4-bis(p-hydroxyphenyl)-, (E)-
• 4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol, trans
• 4,4'-Dihydroxy-«alpha»,«beta»-diethylstilbene
• 4,4'-Dihydroxy-«alpha»,«beta»-diethylstilbene
• 4,4'-Dihydroxydiethylstilbene
• 4,4'-Stilbenediol, «alpha»,«alpha»'-diethyl-, (E)-
• 4,4'-Stilbenediol, «alpha»,«alpha»-diethyl-, (E)-
• 4,4'-Stilbenediol, «alpha»,«alpha»'-diethyl-, (E)-
• 4,4'-Stilbenediol, «alpha»,«alpha»-diethyl-, (E)-
• Acnestrol
• Agostilben
• Antigestil
• Bertrol
• Bio-des
• Bufon
• Climaterine
• Comestrol
• Comestrol estrobene
• Cyren
• Cyren A
• DEB
• DES
• DES (Synthetic Estrogen)
• Dawe's destrol
• Desma
• Destrol
• Di-Estryl
• DiBestrol 2 Premix
• Diastyl
• Dibestrol
• Dibestrol '2' premix
• Dicorvin
• Diethylstilbesterol
• Diethylstilboesterol
• Dietilestilbestrol
• Distilbene
• Domestrol
• Dyestrol
• Estilben
• Estilbin MCO
• Estril
• Estrobene
• Estromenin
• Estrosyn
• Follidiene
• Fonatol
• Grafestrol
• Gynopharm
• Hi-Bestrol
• Idroestril
• Iscovesco
• Makarol
• Menostilbeen
• Micrest
• Microest
• Milestrol
• NSC 3070
• Neo-Oestranol I
• New-Estranol 1
• OeKolp
• Oestrogenine
• Oestrol vetag
• Oestromenin
• Oestromensil
• Oestromensyl
• Oestromienin
• Oestromon
• Pabestrol
• Palestrol
• Percutatrine oestrogenique iscovesco
• Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-
• Phenol, 4,4'-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-
• Protectona
• RCRA Waste number U089
• Rumestrol 1
• Rumestrol 2
• Sedestran
• Serral
• Sexocretin
• Sibol
• Sintestrol
• Stibilium
• Stil
• Stil-Rol
• Stilbestrol
• Stilbestrol, diethyl-
• Stilbestrone
• Stilbetin
• Stilboefral
• Stilboestroform
• Stilboestrol
• Stilbofolin
• Stilbol
• Stilkap
• Synestrin
• Synthestrin
• Synthoestrin
• Synthofolin
• Syntofolin
• Tampovagan stilboestrol
• Tylosterone
• Vagestrol
• neo-Oestranol 1
• strobene
• trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol
• trans-Diethylstilbesterol
• trans-Diethylstilbestrol
• trans-Diethylstilboesterol
• trans-«alpha»,«alpha»'-Diethyl-4,4'-Stilbenediol
• trans-«alpha»,«alpha»'-Diethyl-4,4'-Stilbenediol
• «alpha»,«alpha»'-Diethyl-(E)-4,4'-stilbenediol
• «alpha»,«alpha»'-Diethyl-4,4'-stilbenediol
• «alpha»,«alpha»'-Diethylstilbenediol
• «alpha»,«alpha»'-Diethyl-(E)-4,4'-stilbenediol
• «alpha»,«alpha»'-Diethyl-4,4'-stilbenediol
• «alpha»,«alpha»'-Diethylstilbenediol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	79.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-198.77	kJ/mol	Joback Calculated Property
ΔfusH°	39.61	kJ/mol	Joback Calculated Property
ΔvapH°	86.36	kJ/mol	Joback Calculated Property
log10WS	[-4.19; -4.07]
log10WS	-4.19		Aq. Sol...
log10WS	-4.07		Estimat...
logPoct/wat	4.829		Crippen Calculated Property
McVol	224.400	ml/mol	McGowan Calculated Property
Pc	2701.41	kPa	Joback Calculated Property
Inp	2298.00		NIST
Tboil	829.76	K	Joback Calculated Property
Tc	1081.28	K	Joback Calculated Property
Tfus	[443.00; 445.56]	K
Tfus	445.56 ± 0.20	K	NIST
Tfus	443.00 ± 1.00	K	NIST
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.14; 754.89]	J/mol×K	[829.76; 1081.28]
Cp,gas	663.14	J/mol×K	829.76	Joback Calculated Property
Cp,gas	678.69	J/mol×K	871.68	Joback Calculated Property
Cp,gas	693.80	J/mol×K	913.60	Joback Calculated Property
Cp,gas	708.72	J/mol×K	955.52	Joback Calculated Property
Cp,gas	723.71	J/mol×K	997.44	Joback Calculated Property
Cp,gas	739.01	J/mol×K	1039.36	Joback Calculated Property
Cp,gas	754.89	J/mol×K	1081.28	Joback Calculated Property
ΔfusH	31.76	kJ/mol	443.80	NIST

Similar Compounds

Find more compounds similar to Diethylstilbestrol.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.