- InChI
- InChI=1S/C7H15NO2/c1-3-5(2)4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
- InChI Key
- MBZXSJWDBIIBLL-UHFFFAOYSA-N
- Formula
- C7H15NO2
- SMILES
- CCC(C)CC(N)C(=O)O
- Molecular Weight1
- 145.20
- CAS
- 3570-21-6
- 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 | 0.6923 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.835 | Crippen Calculated Property | |
| McVol | 126.910 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Tboil | 511.06 | K | Relay (1.0) Calculated Property |
| Tc | 693.29 | K | Relay (1.0) Calculated Property |
| Tfus | 408.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.53; 384.00] | J/mol×K | [576.92; 781.48] | 
|
| Cp,gas | 323.53 | J/mol×K | 576.92 | Joback Calculated Property |
| Cp,gas | 335.13 | J/mol×K | 611.01 | Joback Calculated Property |
| Cp,gas | 346.09 | J/mol×K | 645.11 | Joback Calculated Property |
| Cp,gas | 356.43 | J/mol×K | 679.20 | Joback Calculated Property |
| Cp,gas | 366.18 | J/mol×K | 713.29 | Joback Calculated Property |
| Cp,gas | 375.36 | J/mol×K | 747.39 | Joback Calculated Property |
| Cp,gas | 384.00 | J/mol×K | 781.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylbutylglycine.
Sources
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