Mixture of 2-(1-(aminomethyl)cyclohexyl)acetic acid + Ethanol

Name: 2-(1-(aminomethyl)cyclohexyl)acetic acid
InChI: InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
InChI Key: UGJMXCAKCUNAIE-UHFFFAOYSA-N
Formula: C9H17NO2
SMILES: NCC1(CC(=O)O)CCCCC1
Mol. Weight (g/mol): 171.24

Name: Ethanol
InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula: C2H6O
SMILES: CCO
Mol. Weight (g/mol): 46.07
CAS: 64-17-5

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Datasets

Mole fraction (2)

Mole fraction of 2-(1-(aminomethyl)cyclohexyl)acetic acid (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid	Mole fraction of 2-(1-(aminomethyl)cyclohexyl)acetic acid (1) - Liquid
283.15	0.0013
288.15	0.0015
293.15	0.0017
298.15	0.0019
303.15	0.0022
308.15	0.0024
313.15	0.0027
318.15	0.0030
323.15	0.0033

Mole fraction of 2-(1-(aminomethyl)cyclohexyl)acetic acid (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid	Mole fraction of 2-(1-(aminomethyl)cyclohexyl)acetic acid (1) - Liquid
283.15	0.0013
288.15	0.0015
293.15	0.0017
298.15	0.0019
303.15	0.0022
308.15	0.0024
313.15	0.0027
318.15	0.0030
323.15	0.0033

Sources

Thermodynamic and molecular investigation into the solubility, stability and self-assembly of gabapentin anhydrate and hydrate

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