- InChI
- InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)
- InChI Key
- GCHPUFAZSONQIV-UHFFFAOYSA-N
- Formula
- C5H11NO2
- SMILES
- CCC(C)(N)C(=O)O
- Molecular Weight1
- 117.15
- CAS
- 465-58-7
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.6389 | Relay (1.0) Calculated Property | |
| ΔfG° | -205.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.198 | Crippen Calculated Property | |
| McVol | 98.730 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Tboil | 477.34 | K | Relay (1.0) Calculated Property |
| Tc | 671.50 | K | Relay (1.0) Calculated Property |
| Tfus | 439.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.350 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.41; 280.88] | J/mol×K | [529.15; 723.51] | 
|
| Cp,gas | 235.41 | J/mol×K | 529.15 | Joback Calculated Property |
| Cp,gas | 244.22 | J/mol×K | 561.54 | Joback Calculated Property |
| Cp,gas | 252.51 | J/mol×K | 593.94 | Joback Calculated Property |
| Cp,gas | 260.29 | J/mol×K | 626.33 | Joback Calculated Property |
| Cp,gas | 267.59 | J/mol×K | 658.72 | Joback Calculated Property |
| Cp,gas | 274.45 | J/mol×K | 691.12 | Joback Calculated Property |
| Cp,gas | 280.88 | J/mol×K | 723.51 | Joback Calculated Property |
| ΔsubH | [125.80; 134.00] | kJ/mol | [413.00; 454.00] |
|
| ΔsubH | 134.00 ± 1.00 | kJ/mol | 413.00 | NIST |
| ΔsubH | 125.80 ± 0.40 | kJ/mol | 454.00 | NIST |
Similar Compounds
Find more compounds similar to (Dl)-2-amino-2-methyl-butanoic acid.
Sources
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