Mixture of sec-Butyl acetate + Simvastatin

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sec-Butyl acetate

Name
sec-Butyl acetate
InChI
InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
InChI Key
DCKVNWZUADLDEH-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CCC(C)OC(C)=O
Mol. Weight (g/mol)
116.16
CAS
105-46-4

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 sec-Butyl acetate (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of sec-Butyl acetate (1) - Liquid
279.10 0.0202
282.20 0.0207
285.30 0.0217
288.50 0.0224
291.30 0.0233
296.10 0.0251
301.00 0.0268
305.80 0.0293
310.70 0.0323
315.50 0.0356

Mole fraction of sec-Butyl acetate (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of sec-Butyl acetate (1) - Liquid
279.10 0.0202
282.20 0.0207
285.30 0.0217
288.50 0.0224
291.30 0.0233
296.10 0.0251
301.00 0.0268
305.80 0.0293
310.70 0.0323
315.50 0.0356

Sources