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

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
• 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

• 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_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).
• 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°	159.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-81.55	kJ/mol	Joback Calculated Property
ΔfusH°	39.81	kJ/mol	Joback Calculated Property
ΔvapH°	86.32	kJ/mol	Joback Calculated Property
log10WS	[-4.95; -4.95]
log10WS	-4.95		Aq. Sol...
log10WS	-4.95		Estimat...
logPoct/wat	4.605		Crippen Calculated Property
McVol	220.100	ml/mol	McGowan Calculated Property
Pc	2853.57	kPa	Joback Calculated Property
Tboil	833.92	K	Joback Calculated Property
Tc	1094.51	K	Joback Calculated Property
Tfus	500.65	K	Aq. Sol...
Vc	0.722	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[636.41; 729.53]	J/mol×K	[833.92; 1094.51]
Cp,gas	636.41	J/mol×K	833.92	Joback Calculated Property
Cp,gas	651.62	J/mol×K	877.35	Joback Calculated Property
Cp,gas	666.55	J/mol×K	920.78	Joback Calculated Property
Cp,gas	681.50	J/mol×K	964.22	Joback Calculated Property
Cp,gas	696.78	J/mol×K	1007.65	Joback Calculated Property
Cp,gas	712.69	J/mol×K	1051.08	Joback Calculated Property
Cp,gas	729.53	J/mol×K	1094.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dienestrol.

Sources

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

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