- InChI
- InChI=1S/C7H13NO3/c1-3-4-6(9)8-5-7(10)11-2/h3-5H2,1-2H3,(H,8,9)
- InChI Key
- ZNLZIFQCWQWBDV-UHFFFAOYSA-N
- Formula
- C7H13NO3
- SMILES
- CCCC(=O)NCC(=O)OC
- 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° | -265.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.51 | kJ/mol | Joback Calculated Property |
| log10WS | -0.58 | Crippen Calculated Property | |
| logPoct/wat | 0.076 | Crippen Calculated Property | |
| McVol | 128.480 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1260.00] |
|
|
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Tboil | 539.89 | K | Joback Calculated Property |
| Tc | 728.58 | K | Joback Calculated Property |
| Tfus | 343.40 | K | Joback Calculated Property |
| Vc | 0.492 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.98; 358.74] | J/mol×K | [539.89; 728.58] |
|
| Cp,gas | 299.98 | J/mol×K | 539.89 | Joback Calculated Property |
| Cp,gas | 310.96 | J/mol×K | 571.34 | Joback Calculated Property |
| Cp,gas | 321.46 | J/mol×K | 602.79 | Joback Calculated Property |
| Cp,gas | 331.48 | J/mol×K | 634.24 | Joback Calculated Property |
| Cp,gas | 341.04 | J/mol×K | 665.68 | Joback Calculated Property |
| Cp,gas | 350.12 | J/mol×K | 697.13 | Joback Calculated Property |
| Cp,gas | 358.74 | J/mol×K | 728.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Butyrylglycine, methyl ester.
Sources
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