NIST TRC ThermoML Dataset

Solubility and pKa of select pharmaceuticals in water, ethanol, and 1-octanol DomaÅska, U.; Pobudkowska, A.; Pelczarska, A.; Winiarska-Tusznio, M.; Gierycz, P.; The Journal of Chemical Thermodynamics 2010, 42, 1465-1472

Journal: The Journal of Chemical Thermodynamics
Sample Quantity(ies): Solid-liquid equilibrium temperature
Methodology: VISOBS
Phase(s): Liquid
Substances:
1. 1-octanol C8H18O (KBPLFHHGFOOTCA-UHFFFAOYSA-N) - Commercial source
2. 5-(3-(tert-butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol C17H27NO4 (VWPOSFSPZNDTMJ-UHFFFAOYSA-N) - Commercial source

Data

P = 101.3 kPa
x (mol mol^-1)	T_SLE (K)
0.0004	292.9
0.0346	346.7
0.0351	347.2
0.0445	351.6
0.0515	355.1
0.0571	357.9
0.0785	361.5
1	403.4
0.0008	299.0
0.0010	293.6
0.0013	299.6
0.0033	314.2
0.0105	327.3
0.0138	330.6
0.0162	334.2
0.0252	340.0

39430; octan-1-ol + 5-(3-(tert-butylamino)-2-hydroxypropoxy)-1,2,3,4-tetrahydronaphthalene-2,3-diol; 00046:07292