- 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
- Molecular Weight1
- 171.24
- Other Names
-
- gabapentin
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- ρs : Solid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -155.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.370 | Crippen Calculated Property | |
| McVol | 144.230 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Tboil | 643.69 | K | Joback Calculated Property |
| Tc | 855.70 | K | Joback Calculated Property |
| Tfus | 416.48 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.93; 474.97] | J/mol×K | [643.69; 855.70] | 
|
| Cp,gas | 401.93 | J/mol×K | 643.69 | Joback Calculated Property |
| Cp,gas | 415.54 | J/mol×K | 679.02 | Joback Calculated Property |
| Cp,gas | 428.43 | J/mol×K | 714.36 | Joback Calculated Property |
| Cp,gas | 440.70 | J/mol×K | 749.69 | Joback Calculated Property |
| Cp,gas | 452.48 | J/mol×K | 785.03 | Joback Calculated Property |
| Cp,gas | 463.86 | J/mol×K | 820.36 | Joback Calculated Property |
| Cp,gas | 474.97 | J/mol×K | 855.70 | Joback Calculated Property |
| ρs | 1239.00 | kg/m3 | 293.00 | Thermod... |
Similar Compounds
Find more compounds similar to 2-(1-(aminomethyl)cyclohexyl)acetic acid.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic and molecular investigation into the solubility, stability and self-assembly of gabapentin anhydrate and hydrate
- Joback Method
- McGowan Method
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