Mixture of Isobutyl acetate + Simvastatin

Excel

Isobutyl acetate

Name
Isobutyl acetate
InChI
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChI Key
GJRQTCIYDGXPES-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CC(=O)OCC(C)C
Mol. Weight (g/mol)
116.16
CAS
110-19-0

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

  1. Mole fraction (4)

Mole fraction of Isobutyl acetate (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Isobutyl acetate (1) - Liquid
279.10 0.0184
282.20 0.0192
285.30 0.0203
288.50 0.0213
291.30 0.0222
296.10 0.0242
301.00 0.0265
305.80 0.0291
310.70 0.0321
315.50 0.0355

Mole fraction of Simvastatin (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Simvastatin (2) - Liquid
278.15 0.0164
283.15 0.0197
288.15 0.0239
293.15 0.0282
298.15 0.0328
303.15 0.0393
308.15 0.0501
313.15 0.0546
318.15 0.0651

Mole fraction of Isobutyl acetate (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Isobutyl acetate (1) - Liquid
279.10 0.0184
282.20 0.0192
285.30 0.0203
288.50 0.0213
291.30 0.0222
296.10 0.0242
301.00 0.0265
305.80 0.0291
310.70 0.0321
315.50 0.0355

Mole fraction of Simvastatin (2) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Simvastatin (2) - Liquid
278.15 0.0164
283.15 0.0197
288.15 0.0239
293.15 0.0282
298.15 0.0328
303.15 0.0393
308.15 0.0501
313.15 0.0546
318.15 0.0651

Sources