Estradiol (CAS 50-28-2)

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14?,15?,16?,17-,18?/m1/s1

InChI Key

VOXZDWNPVJITMN-AWDGRILASA-N

Formula

C18H24O2

SMILES

CC12CCC3c4ccc(O)cc4CCC3C1CCC2O

Molecular Weight¹

272.38

CAS

50-28-2

Other Names

(+)-3,17.beta.-estradiol
(+)-3,17«beta»-Estradiol
(+)-3,17Â«betaÂ»-Estradiol
(17.beta.)-estra-1,3,5(10)-triene-3,17diol
1,3,5,(10)-Estratrien-3,17«beta»-diol
1,3,5,(10)-Estratrien-3,17Â«betaÂ»-diol
1,3,5-Estratriene-3,17«beta»-diol
1,3,5-Estratriene-3,17Â«betaÂ»-diol
17.beta.-estradiol
17.beta.-oestradiol
17«beta»-Estra-1,3,5(10)-triene-3,17-diol
17«beta»-Estradiol
17«beta»-OH-estradiol
17«beta»-OH-oestradiol
17«beta»-Oestra-1,3,5(10)-triene-3,17-diol
17«beta»-Oestradiol
17Â«betaÂ»-Estra-1,3,5(10)-triene-3,17-diol
17Â«betaÂ»-Estradiol
17Â«betaÂ»-OH-estradiol
17Â«betaÂ»-OH-oestradiol
17Â«betaÂ»-Oestra-1,3,5(10)-triene-3,17-diol
17Â«betaÂ»-Oestradiol
3,17-Epidihydroxyestratriene
3,17-Epidihydroxyestratrienelor
3,17-Epidihydroxyoestratriene
3,17-«beta»-Oestradiol
3,17-Â«betaÂ»-Oestradiol
3,17.beta.-dihydroxyestra-1,3,5(10)-triene
3,17.beta.-estradiol
3,17«beta»-Dihydroxy-1,3,5(10)-estratriene
3,17«beta»-Dihydroxy-1,3,5(10)-oestratriene
3,17«beta»-Dihydroxyestra-1,3,5(10)-triene
3,17«beta»-Dihydroxyestra-1,3,5-triene
3,17«beta»-Dihydroxyoestra-1,3,5-triene
3,17«beta»-Estradiol
3,17Â«betaÂ»-Dihydroxy-1,3,5(10)-estratriene
3,17Â«betaÂ»-Dihydroxy-1,3,5(10)-oestratriene
3,17Â«betaÂ»-Dihydroxyestra-1,3,5(10)-triene
3,17Â«betaÂ»-Dihydroxyestra-1,3,5-triene
3,17Â«betaÂ»-Dihydroxyoestra-1,3,5-triene
3,17Â«betaÂ»-Estradiol
Agofollin
Altrad
Amnestrogen
Aquadiol
Bardiol
Benzogynestry
Beta-estradiol
Climara
Corpagen
D-3,17«beta»-Estradiol
D-3,17«beta»-Oestradiol
D-3,17Â«betaÂ»-Estradiol
D-3,17Â«betaÂ»-Oestradiol
D-Estradiol
D-Oestradiol
Dihydrofollicular hormone
Dihydrofolliculin
Dihydromenformon
Dihydrotheelin
Dihydroxyesterin
Dihydroxyestrin
Dihydroxyoestrin
Dimenformon
Dimenformon prolongatum
Diogyn
Diogynets
E 2
E(sub 2)
Epiestriol 50
Estasorb
Estra-1(10),2,4-triene-3,17-diol
Estra-1,3,5(10)-triene-3,17-diol (17«beta»)-
Estra-1,3,5(10)-triene-3,17-diol (17Â«betaÂ»)-
Estra-1,3,5(10)-triene-3,17beta-diol
Estra-1,3,5(10)-triene-3,17«beta»-diol
Estra-1,3,5(10)-triene-3,17Â«betaÂ»-diol
Estrace
Estraderm
Estraderm TTS
Estradiol, «beta»-
Estradiol, Â«betaÂ»-
Estradiol-17«beta»
Estradiol-17Â«betaÂ»
Estradot
Estraldine
Estring vaginal ring
Estroclim
Estrol
Estropause
Estrovite
Evex
Evorel
Femanest
Femestral
Femestrol
Femogen
Follicyclin
Gelestra
Ginosedol
Gynergon
Gynestrel
Gynoestryl
Lamdiol
Macrodiol
Macrol
Menest
Menorest
Microdiol
NSC-20293
NSC-9895
Nordicol
Oesclim
Oestergon
Oestra-1,3,5(10)-triene-3,17«beta»-diol
Oestra-1,3,5(10)-triene-3,17Â«betaÂ»-diol
Oestradiol
Oestradiol R
Oestradiol-17«beta»
Oestradiol-17Â«betaÂ»
Oestrogel
Oestroglandol
Oestrogynal
Ovahormon
Ovasterol
Ovastevol
Ovociclina
Ovocyclin
Ovocycline
Ovocylin
Perlatanol
Primofol
Profoliol
Profoliol B
Progynon
Progynon-DH
Ricifon
Ritsifon
SK-Estrogens
Soldep
Sotipox
Syndiol
Systen
Theelin, dihydro-
Trocosone
Vagifem
Vivelle
Zumenon
cis-Estradiol
cis-Oestradiol
component of Menrium
estra-1,3,5(10)-triene-3,17-diol, (17.beta.)-
estra-1,3,5(10)-triene-3,17.beta.-diol
«alpha»-Estradiol
«alpha»-Oestradiol
«beta»-Estradiol
«beta»-Oestradiol
Â«alphaÂ»-Estradiol
Â«alphaÂ»-Oestradiol
Â«betaÂ»-Estradiol
Â«betaÂ»-Oestradiol

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).
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.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	49.16	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-338.69	kJ/mol	Joback Calculated Property
Δ_fusH°	31.95	kJ/mol	Joback Calculated Property
Δ_vapH°	86.61	kJ/mol	Joback Calculated Property
log₁₀WS	-5.03		Estimat...
logP_oct/wat	3.609		Crippen Calculated Property
McVol	219.880	ml/mol	McGowan Calculated Property
P_c	2576.72	kPa	Joback Calculated Property
I_np	[2667.00; 2716.50]
I_np	2716.50		NIST
I_np	2667.00		NIST
I_np	2668.00		NIST
I_np	2667.00		NIST
T_boil	835.36	K	Joback Calculated Property
T_c	1069.90	K	Joback Calculated Property
T_fus	453.00 ± 1.00	K	NIST
V_c	0.771	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[748.75; 869.14]	J/mol×K	[835.36; 1069.90]

C_p,gas	748.75	J/mol×K	835.36	Joback Calculated Property
C_p,gas	768.05	J/mol×K	874.45	Joback Calculated Property
C_p,gas	787.26	J/mol×K	913.54	Joback Calculated Property
C_p,gas	806.67	J/mol×K	952.63	Joback Calculated Property
C_p,gas	826.60	J/mol×K	991.72	Joback Calculated Property
C_p,gas	847.32	J/mol×K	1030.81	Joback Calculated Property
C_p,gas	869.14	J/mol×K	1069.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Estradiol.

Mixtures

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Chemical Properties of Estradiol (CAS 50-28-2)

Physical Properties

Temperature Dependent Properties

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