Mixture of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + Toluene

Name: 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine
InChI: InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N
Formula: C9H13N5O4
SMILES: Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1
Mol. Weight (g/mol): 255.23

Name: Toluene
InChI: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N
Formula: C7H8
SMILES: Cc1ccccc1
Mol. Weight (g/mol): 92.14
CAS: 108-88-3

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Datasets

Mole fraction (2)

Mole fraction of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine (1) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Temperature, K - Liquid	Mole fraction of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine (1) - Liquid
278.15	1.6880e-07
283.15	1.9680e-07
288.15	2.2490e-07
293.15	2.6370e-07
298.15	3.0340e-07
303.15	3.4830e-07
308.15	3.9340e-07
313.15	4.5160e-07
318.15	5.1850e-07

Mole fraction of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine (1) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Temperature, K - Liquid	Mole fraction of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine (1) - Liquid
278.15	1.6880e-07
283.15	1.9680e-07
288.15	2.2490e-07
293.15	2.6370e-07
298.15	3.0340e-07
303.15	3.4830e-07
308.15	3.9340e-07
313.15	4.5160e-07
318.15	5.1850e-07

Sources

Effect of Solvent Properties and Composition on the Solubility of Ganciclovir Form I

Note: These property values are available through the Cheméo API. A free account gives you an access key.