Substance
- Substance Name: estrone
- Formula: C18H22O2
- Molecular Weight: 270.4 g/mol
- Identifiers:
- casrn: 53-16-7
- pubchemId: 5870
- iupacname: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- inchi: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
- inchikey: DNXHEGUUPJUMQT-CBZIJGRNSA-N
- csmiles: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
- ismiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
- wikidataId: Q414986
- chemspiderId: 5660
- dsstoxcmpId: DTXCID402367
- chemblId: CHEMBL1405
- ecnumber: 200-164-5
estrone
Systems and Datasets
- estrone + water (Datasets: 3)
- Dataset 2 in paper 10.1021/je050318c (Dataseries: 1, Datapoints: 1, Quantity: Mass concentration)
- Dataset 25 in paper 10.1016/j.jct.2010.07.001 (Dataseries: 1, Datapoints: 4, Quantity: Solid-liquid equilibrium temperature)
- Dataset 36 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- estrone + potassium nitrate + water (Datasets: 1)
- Dataset 6 in paper 10.1021/je050318c (Dataseries: 1, Datapoints: 2, Quantity: Mass concentration)
- 3-hydroxy-1,3,5(10)-estratrien-17-one (Datasets: 4)
- Dataset 9 in paper 10.1016/j.jct.2010.07.001 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 10 in paper 10.1016/j.jct.2010.07.001 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 16 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 17 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + ethanol (Datasets: 1)
- Dataset 26 in paper 10.1016/j.jct.2010.07.001 (Dataseries: 1, Datapoints: 10, Quantity: Solid-liquid equilibrium temperature)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + octan-1-ol (Datasets: 2)
- Dataset 27 in paper 10.1016/j.jct.2010.07.001 (Dataseries: 1, Datapoints: 13, Quantity: Solid-liquid equilibrium temperature)
- Dataset 37 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + nonan-1-ol (Datasets: 1)
- Dataset 28 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + pentan-1-ol (Datasets: 1)
- Dataset 29 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + 2-aminoethan-1-ol (Datasets: 1)
- Dataset 30 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + acetonitrile (Datasets: 1)
- Dataset 31 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + dodecane (Datasets: 1)
- Dataset 32 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + butan-2-ol (Datasets: 1)
- Dataset 33 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + dimethylformamide (Datasets: 1)
- Dataset 34 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + octane (Datasets: 1)
- Dataset 35 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + N-formylmorpholine (Datasets: 1)
- Dataset 38 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + hexadecane (Datasets: 1)
- Dataset 39 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 3-hydroxy-1,3,5(10)-estratrien-17-one + N-methylpyrrolidone (Datasets: 1)
- Dataset 40 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)