Mixture of Spironolactone + Ethyl Acetate + Methyl Alcohol

Excel

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

Ethyl Acetate

Name
Ethyl Acetate
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChI Key
XEKOWRVHYACXOJ-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCOC(C)=O
Mol. Weight (g/mol)
88.11
CAS
141-78-6

Methyl Alcohol

Name
Methyl Alcohol
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChI Key
OKKJLVBELUTLKV-UHFFFAOYSA-N
Formula
CH4O
SMILES
CO
Mol. Weight (g/mol)
32.04
CAS
67-56-1
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Datasets

  1. Mole fraction (2)

Mole fraction of Spironolactone (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Solvent: Mole fraction of Ethyl Acetate (2) - Liquid Temperature, K - Liquid Mole fraction of Spironolactone (1) - Liquid
0.0000 278.85 0.0002
0.0000 283.65 0.0003
0.0000 288.55 0.0004
0.0000 293.45 0.0004
0.0000 298.30 0.0006
0.0000 303.15 0.0008
0.0000 308.10 0.0010
0.0000 312.95 0.0014
0.0000 317.75 0.0018
0.1946 278.85 0.0007
0.1946 283.65 0.0009
0.1946 288.55 0.0012
0.1946 293.45 0.0016
0.1946 298.30 0.0021
0.1946 303.15 0.0027
0.1946 308.10 0.0035
0.1946 312.95 0.0045
0.1946 317.75 0.0057
0.3833 278.85 0.0015
0.3833 283.65 0.0020
0.3833 288.55 0.0025
0.3833 293.45 0.0032
0.3833 298.30 0.0041
0.3833 303.15 0.0052
0.3833 308.10 0.0067
0.3833 312.95 0.0085
0.3833 317.75 0.0106
0.5947 278.85 0.0025
0.5947 283.65 0.0032
0.5947 288.55 0.0041
0.5947 293.45 0.0051
0.5947 298.30 0.0065
0.5947 303.15 0.0083
0.5947 308.10 0.0105
0.5947 312.95 0.0134
0.5947 317.75 0.0166
0.7976 278.85 0.0036
0.7976 283.65 0.0047
0.7976 288.55 0.0060
0.7976 293.45 0.0076
0.7976 298.30 0.0098
0.7976 303.15 0.0127
0.7976 308.10 0.0170
0.7976 312.95 0.0224
0.7976 317.75 0.0304
0.9059 278.85 0.0066
0.9059 283.65 0.0082
0.9059 288.55 0.0100
0.9059 293.45 0.0122
0.9059 298.30 0.0151
0.9059 303.15 0.0188
0.9059 308.10 0.0243
0.9059 312.95 0.0309
0.9059 317.75 0.0401
1.0000 278.85 0.0179
1.0000 283.65 0.0198
1.0000 288.55 0.0226
1.0000 293.45 0.0246
1.0000 298.30 0.0281
1.0000 303.15 0.0314
1.0000 308.10 0.0359
1.0000 312.95 0.0412
1.0000 317.75 0.0456

Mole fraction of Spironolactone (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Solvent: Mole fraction of Ethyl Acetate (2) - Liquid Temperature, K - Liquid Mole fraction of Spironolactone (1) - Liquid
0.0000 278.85 0.0002
0.0000 283.65 0.0003
0.0000 288.55 0.0004
0.0000 293.45 0.0004
0.0000 298.30 0.0006
0.0000 303.15 0.0008
0.0000 308.10 0.0010
0.0000 312.95 0.0014
0.0000 317.75 0.0018
0.1946 278.85 0.0007
0.1946 283.65 0.0009
0.1946 288.55 0.0012
0.1946 293.45 0.0016
0.1946 298.30 0.0021
0.1946 303.15 0.0027
0.1946 308.10 0.0035
0.1946 312.95 0.0045
0.1946 317.75 0.0057
0.3833 278.85 0.0015
0.3833 283.65 0.0020
0.3833 288.55 0.0025
0.3833 293.45 0.0032
0.3833 298.30 0.0041
0.3833 303.15 0.0052
0.3833 308.10 0.0067
0.3833 312.95 0.0085
0.3833 317.75 0.0106
0.5947 278.85 0.0025
0.5947 283.65 0.0032
0.5947 288.55 0.0041
0.5947 293.45 0.0051
0.5947 298.30 0.0065
0.5947 303.15 0.0083
0.5947 308.10 0.0105
0.5947 312.95 0.0134
0.5947 317.75 0.0166
0.7976 278.85 0.0036
0.7976 283.65 0.0047
0.7976 288.55 0.0060
0.7976 293.45 0.0076
0.7976 298.30 0.0098
0.7976 303.15 0.0127
0.7976 308.10 0.0170
0.7976 312.95 0.0224
0.7976 317.75 0.0304
0.9059 278.85 0.0066
0.9059 283.65 0.0082
0.9059 288.55 0.0100
0.9059 293.45 0.0122
0.9059 298.30 0.0151
0.9059 303.15 0.0188
0.9059 308.10 0.0243
0.9059 312.95 0.0309
0.9059 317.75 0.0401
1.0000 278.85 0.0179
1.0000 283.65 0.0198
1.0000 288.55 0.0226
1.0000 293.45 0.0246
1.0000 298.30 0.0281
1.0000 303.15 0.0314
1.0000 308.10 0.0359
1.0000 312.95 0.0412
1.0000 317.75 0.0456

Sources