Mixture of 1-Octanol + Simvastatin

Excel

1-Octanol

Name
1-Octanol
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key
KBPLFHHGFOOTCA-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CCCCCCCCO
Mol. Weight (g/mol)
130.23
CAS
111-87-5

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-Octanol (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 1-Octanol (1) - Liquid
279.10 0.0208
282.20 0.0218
285.30 0.0226
288.50 0.0233
291.30 0.0251
296.10 0.0274
301.00 0.0299
305.80 0.0326
310.70 0.0360
315.50 0.0389

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

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 1-Octanol (1) - Liquid
279.10 0.0208
282.20 0.0218
285.30 0.0226
288.50 0.0233
291.30 0.0251
296.10 0.0274
301.00 0.0299
305.80 0.0326
310.70 0.0360
315.50 0.0389

Sources