- InChI
- InChI=1S/C7H13NO3/c1-5(2)7(10)8-4-6(9)11-3/h5H,4H2,1-3H3,(H,8,10)
- InChI Key
- NZZLARRIBIFCBC-UHFFFAOYSA-N
- Formula
- C7H13NO3
- SMILES
- COC(=O)CNC(=O)C(C)C
- Molecular Weight1
- 159.18
- 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).
- Inp : Non-polar retention indices.
- 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° | -267.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.13 | kJ/mol | Joback Calculated Property |
| log10WS | -0.34 | Crippen Calculated Property | |
| logPoct/wat | -0.068 | Crippen Calculated Property | |
| McVol | 128.480 | ml/mol | McGowan Calculated Property |
| Pc | 3228.31 | kPa | Joback Calculated Property |
| Inp | [1207.00; 1207.00] |
|
|
| Inp | 1207.00 | NIST | |
| Inp | 1207.00 | NIST | |
| Tboil | 539.45 | K | Joback Calculated Property |
| Tc | 732.01 | K | Joback Calculated Property |
| Tfus | 328.40 | K | Joback Calculated Property |
| Vc | 0.486 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.32; 360.39] | J/mol×K | [539.45; 732.01] |
|
| Cp,gas | 300.32 | J/mol×K | 539.45 | Joback Calculated Property |
| Cp,gas | 311.59 | J/mol×K | 571.54 | Joback Calculated Property |
| Cp,gas | 322.35 | J/mol×K | 603.64 | Joback Calculated Property |
| Cp,gas | 332.61 | J/mol×K | 635.73 | Joback Calculated Property |
| Cp,gas | 342.37 | J/mol×K | 667.82 | Joback Calculated Property |
| Cp,gas | 351.63 | J/mol×K | 699.92 | Joback Calculated Property |
| Cp,gas | 360.39 | J/mol×K | 732.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyrylglycine, methyl ester.
Sources
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