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

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: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

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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	0.0092
288.15	0.0104
293.15	0.0115
298.15	0.0123
303.15	0.0135
308.15	0.0150
313.15	0.0165
318.15	0.0185
323.15	0.0217

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	0.0092
288.15	0.0104
293.15	0.0115
298.15	0.0123
303.15	0.0135
308.15	0.0150
313.15	0.0165
318.15	0.0185
323.15	0.0217

Sources

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

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