Mixture of Acetonitrile + Trimethoprim

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Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

Trimethoprim

Name
Trimethoprim
InChI
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChI Key
IEDVJHCEMCRBQM-UHFFFAOYSA-N
Formula
C14H18N4O3
SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Mol. Weight (g/mol)
290.32
CAS
738-70-5
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Datasets

  1. Mole fraction (2)

Mole fraction of Trimethoprim (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Trimethoprim (2) - Liquid
293.15 0.0004
298.45 0.0004
303.45 0.0005
308.15 0.0007
312.95 0.0008
318.65 0.0010
322.65 0.0013

Mole fraction of Trimethoprim (2) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid Mole fraction of Trimethoprim (2) - Liquid
293.15 0.0004
298.45 0.0004
303.45 0.0005
308.15 0.0007
312.95 0.0008
318.65 0.0010
322.65 0.0013

Sources