Mixture of Spironolactone + 1-Butanol

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Spironolactone

Name
Spironolactone
InChI
InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17?,18?,19-,21?,22?,23?,24-/m1/s1
InChI Key
LXMSZDCAJNLERA-PJKOONHHSA-N
Formula
C24H32O4S
SMILES
CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12
Mol. Weight (g/mol)
416.57
CAS
52-01-7

1-Butanol

Name
1-Butanol
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key
LRHPLDYGYMQRHN-UHFFFAOYSA-N
Formula
C4H10O
SMILES
CCCCO
Mol. Weight (g/mol)
74.12
CAS
71-36-3
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Datasets

  1. Mole fraction (2)

Mole fraction of Spironolactone (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Spironolactone (1) - Liquid
278.95 0.0019
283.65 0.0024
288.55 0.0031
293.45 0.0040
298.25 0.0047
303.05 0.0058
308.15 0.0073
312.95 0.0090
317.65 0.0110

Mole fraction of Spironolactone (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Spironolactone (1) - Liquid
278.95 0.0019
283.65 0.0024
288.55 0.0031
293.45 0.0040
298.25 0.0047
303.05 0.0058
308.15 0.0073
312.95 0.0090
317.65 0.0110

Sources