Mixture of 2-Butanol + Simvastatin

2-Butanol

Name
2-Butanol
InChI
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChI Key
BTANRVKWQNVYAZ-UHFFFAOYSA-N
Formula
C4H10O
SMILES
CCC(C)O
Mol. Weight (g/mol)
74.12
CAS
78-92-2

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/t15-,16-,18+,19+,20-,21-,23-/m0/s1
InChI Key
RYMZZMVNJRMUDD-HGQWONQESA-N
Formula
C25H38O5
SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
Mol. Weight (g/mol)
418.57
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Datasets

  1. Mole fraction

Mole fraction of 2-Butanol (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 2-Butanol (1) - Liquid
279.10 0.0185
282.20 0.0193
285.30 0.0204
288.50 0.0215
291.30 0.0224
296.10 0.0233
301.00 0.0255
305.80 0.0281
310.70 0.0310
315.50 0.0343

Sources

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