Mixture of Acetic acid, methyl ester + Simvastatin

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Acetic acid, methyl ester

Name
Acetic acid, methyl ester
InChI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChI Key
KXKVLQRXCPHEJC-UHFFFAOYSA-N
Formula
C3H6O2
SMILES
COC(C)=O
Mol. Weight (g/mol)
74.08
CAS
79-20-9

Simvastatin

Name
Simvastatin
InChI
InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3
InChI Key
RYMZZMVNJRMUDD-UHFFFAOYSA-N
Formula
C25H38O5
SMILES
CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21
Mol. Weight (g/mol)
418.57
CAS
79902-63-9
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Datasets

  1. Mole fraction (4)

Mole fraction of Acetic acid, methyl ester (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Acetic acid, methyl ester (1) - Liquid
279.10 0.0173
282.20 0.0180
285.30 0.0189
288.50 0.0195
291.30 0.0204
296.10 0.0220
301.00 0.0237
305.80 0.0261
310.70 0.0289
315.50 0.0321

Mole fraction of Simvastatin (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Simvastatin (2) - Liquid
278.15 0.0241
283.15 0.0290
288.15 0.0339
293.15 0.0414
298.15 0.0503
303.15 0.0608
308.15 0.0765
313.15 0.0949
318.15 0.1122

Mole fraction of Acetic acid, methyl ester (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Acetic acid, methyl ester (1) - Liquid
279.10 0.0173
282.20 0.0180
285.30 0.0189
288.50 0.0195
291.30 0.0204
296.10 0.0220
301.00 0.0237
305.80 0.0261
310.70 0.0289
315.50 0.0321

Mole fraction of Simvastatin (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Simvastatin (2) - Liquid
278.15 0.0241
283.15 0.0290
288.15 0.0339
293.15 0.0414
298.15 0.0503
303.15 0.0608
308.15 0.0765
313.15 0.0949
318.15 0.1122

Sources