Mixture of Acetic acid, 1,1-dimethylethyl ester + Simvastatin

Excel

Acetic acid, 1,1-dimethylethyl ester

Name
Acetic acid, 1,1-dimethylethyl ester
InChI
InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
InChI Key
WMOVHXAZOJBABW-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CC(=O)OC(C)(C)C
Mol. Weight (g/mol)
116.16
CAS
540-88-5

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
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 (2)

Mole fraction of Acetic acid, 1,1-dimethylethyl ester (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Acetic acid, 1,1-dimethylethyl ester (1) - Liquid
279.10 0.0164
282.20 0.0173
285.30 0.0182
288.50 0.0194
291.30 0.0203
296.10 0.0218
301.00 0.0236
305.80 0.0261
310.70 0.0291
315.50 0.0324

Mole fraction of Acetic acid, 1,1-dimethylethyl ester (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of Acetic acid, 1,1-dimethylethyl ester (1) - Liquid
279.10 0.0164
282.20 0.0173
285.30 0.0182
288.50 0.0194
291.30 0.0203
296.10 0.0218
301.00 0.0236
305.80 0.0261
310.70 0.0291
315.50 0.0324

Sources