- InChI
- InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
- InChI Key
- AKVBCGQVQXPRLD-UHFFFAOYSA-N
- Formula
- C8H17NO2
- SMILES
- CCCCCCC(N)C(=O)O
- Molecular Weight1
- 159.23
- Other Names
-
- (±)-2-aminooctanoic acid
- 2-Amino-DL-caprylic acid
- 2-Aminooctanoic acid
- NSC 20147
- Octanoic acid, 2-amino-, (.+/-.)-
- Octanoic acid, 2-amino-, DL-
- Octanoic acid, 2-amino-, d,l-
- dl-2-Aminooctanoic acid
- dl-«alpha»-Amino-n-caprylic acid
- «alpha»-Aminocaprylic acid
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7759 | Relay (1.0) Calculated Property | |
| ΔfG° | -263.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -532.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.369 | Crippen Calculated Property | |
| McVol | 141.000 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Tboil | 532.26 | K | Relay (1.0) Calculated Property |
| Tc | 716.97 | K | Relay (1.0) Calculated Property |
| Tfus | 543.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.87; 479.34] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.02500e+00 | |||
| Coefficient B | 8.82420e-01 | |||
| Coefficient C | -5.30600e-04 | |||
| Coefficient D | 1.22500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 256.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 298.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 335.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 397.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 422.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 444.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 462.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 479.34 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to OCTANOIC ACID, 2-AMINO-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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