Mixture of Isopropyl acetate + Simvastatin

Excel

Isopropyl acetate

Name
Isopropyl acetate
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChI Key
JMMWKPVZQRWMSS-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CC(=O)OC(C)C
Mol. Weight (g/mol)
102.13
CAS
108-21-4

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 (2)

Mole fraction of Isopropyl acetate (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Isopropyl acetate (1) - Liquid
279.10 0.0165
282.20 0.0173
285.30 0.0185
288.50 0.0198
291.30 0.0209
296.10 0.0233
301.00 0.0258
305.80 0.0291
310.70 0.0321
315.50 0.0355

Mole fraction of Isopropyl acetate (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Isopropyl acetate (1) - Liquid
279.10 0.0165
282.20 0.0173
285.30 0.0185
288.50 0.0198
291.30 0.0209
296.10 0.0233
301.00 0.0258
305.80 0.0291
310.70 0.0321
315.50 0.0355

Sources