Mixture of 1-Butanol + Simvastatin

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1-Butanol

Name
1-Butanol
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key
LRHPLDYGYMQRHN-UHFFFAOYSA-N
Formula
C4H10O
SMILES
CCCCO
Mol. Weight (g/mol)
74.12
CAS
71-36-3

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 1-Butanol (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 1-Butanol (1) - Liquid
279.10 0.0177
282.20 0.0188
285.30 0.0196
288.50 0.0211
291.30 0.0222
296.10 0.0241
301.00 0.0265
305.80 0.0289
310.70 0.0330
315.50 0.0378

Mole fraction of 1-Butanol (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 1-Butanol (1) - Liquid
279.10 0.0177
282.20 0.0188
285.30 0.0196
288.50 0.0211
291.30 0.0222
296.10 0.0241
301.00 0.0265
305.80 0.0289
310.70 0.0330
315.50 0.0378

Sources