- Double-bond stereo
(3E)-3-Hexene-3,4-diyldi-4,1-phenylene dipropanoate
O=C(Oc1ccc(cc1)\C(=C(\c2ccc(OC(=O)CC)cc2)CC)CC)CC CopyCopied
InChI=1S/C24H28O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16H,5-8H2,1-4H3/b22-21+ CopyCopied
VZMLEMYJUIIHNF-QURGRASLSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(3E)-Hex-3-ene-3,4-diyldi-4,1-phenylene dipropanoate
(E)-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol Dipropanoate
130-80-3 [RN]
4,4'-(1,2-Diethyl-1,2-ethenediyl)diphenol dipropanoate
a,a'-Diethyl-4,4'-stilbenediol Dipropionyl Ester
phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate
phenol, 4,4'-[(E)-1,2-diethyl-1,2-ethenediyl]bis-, dipropanoate
Sin-estrol
SYNESTRIN
(3E)-hex-3-ene-3,4-diyldibenzene-4,1-diyl dipropanoate
(E)-3,4-Diphenyl-3-hexene p,p′-dipropionate
204-995-4 [EINECS]
29864-80-0 [RN]
37221-14-0 [RN]
4,4'-(1,2-DIEHTYL-1,2-ETHENEDIYL)BISPHENOL, DIP*
4,4'-Stilbenediol, α,α'-diethyl-, dipropionate, (E)-
4,4'-Stilbenediol, α,α'-diethyl-, dipropionate, trans-
4-[(1E)-1-ethyl-2-(4-propanoyloxyphenyl)but-1-enyl]phenyl propanoate
4-06-00-06857
4-06-00-06857 (Beilstein Handbook Reference) [Beilstein]
C24H28O4
Clinestrol
Cyren B
DESD
Dibestil
Diethyldioxystilbene dipropionate
Diethylstilbestrol Dipropionate
Diethylstilbestrol propionate
Diethylstilboestrol dipropionate
DIHYDROXYDIETHYLSTILBENE DIPROPIONATE
Dipropionato de estilbene [Spanish]
EINECS 204-995-4
Estilben
Estilbin
Estroben DF
Estrobene DP
Estrogenin
Estrostilben
Euvestin
Gynolett
Horfemine
Neo-oestranol II
New-oestranol II
Oestrogynaedron
Orestol
Oroestron
p,p'-Dipropionoxy-trans-α,β-diethylstilbene
Pabestrol D
Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate
Phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, dipropanoate, (E)-
Sinciclan
Sinestrol
Stilbestrol dipropionate
STILBESTROL PROPIONATE
Stilbestrol, diethyl dipropionate
Stilbestronate
stilboestrol dipropionate
Stilboestrol DP
Stilbofax
Stilronate
Synestrol
Synoestron
Syntestrin
Syntestrine
Tauripar B
trans-4,4'-(1,2-Diethyl-1,2-ethenediyl)bisphenol dipropionate
Vetoestrol
Willestrol
α,α'-Diethyl-4,4'-stilbenediol dipropionyl ester
α,α'-Diethyl-4,4'-stilbenediol, dipropionate
BRN 2632126 [DBID]
CCRIS 241 [DBID]
D3881_SIGMA [DBID]
MLS000028439 [DBID]
SMR000058362 [DBID]
ZINC00608323 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 442.70 (Adapted Stein & Brown method) Melting Pt (deg C): 96.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.26E-007 (Modified Grain method) MP (exp database): 104 deg C Subcooled liquid VP: 7.45E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.006592 log Kow used: 6.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0093749 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.37E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.569E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.78 (KowWin est) Log Kaw used: -5.252 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.032 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9148 Biowin2 (Non-Linear Model) : 0.9969 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6388 (weeks-months) Biowin4 (Primary Survey Model) : 3.7567 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5327 Biowin6 (MITI Non-Linear Model): 0.3080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2020 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 9.93E-005 Pa (7.45E-007 mm Hg) Log Koa (Koawin est ): 12.032 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0302 Octanol/air (Koa) model: 0.264 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.522 Mackay model : 0.707 Octanol/air (Koa) model: 0.955 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 116.8974 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.098 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1064.699951 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.550 Min Fraction sorbed to airborne particulates (phi): 0.614 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.555E+005 Log Koc: 5.192 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.494E+000 L/mol-sec Kb Half-Life at pH 8: 2.296 days Kb Half-Life at pH 7: 22.959 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.518 (BCF = 3.297e+004) log Kow used: 6.78 (estimated) Volatilization from Water: Henry LC: 1.37E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8338 hours (347.4 days) Half-Life from Model Lake : 9.112E+004 hours (3797 days) Removal In Wastewater Treatment: Total removal: 93.72 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.94 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000416 0.0255 1000 Water 2.32 900 1000 Soil 29.4 1.8e+003 1000 Sediment 68.3 8.1e+003 0 Persistence Time: 2.95e+003 hr
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