- InChI
- InChI=1S/C12H23NO3/c1-4-5-6-9-16-11(14)7-8-13-12(15)10(2)3/h10H,4-9H2,1-3H3,(H,13,15)
- InChI Key
- YEPNMEFJNCDNMZ-UHFFFAOYSA-N
- Formula
- C12H23NO3
- SMILES
- CCCCCOC(=O)CCNC(=O)C(C)C
- Molecular Weight1
- 229.32
- 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° | -225.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 1.882 | Crippen Calculated Property | |
| McVol | 198.930 | ml/mol | McGowan Calculated Property |
| Pc | 1992.98 | kPa | Joback Calculated Property |
| Inp | 1705.00 | NIST | |
| Tboil | 653.85 | K | Joback Calculated Property |
| Tc | 836.74 | K | Joback Calculated Property |
| Tfus | 384.75 | K | Joback Calculated Property |
| Vc | 0.766 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.56; 622.88] | J/mol×K | [653.85; 836.74] | 
|
| Cp,gas | 544.56 | J/mol×K | 653.85 | Joback Calculated Property |
| Cp,gas | 559.39 | J/mol×K | 684.33 | Joback Calculated Property |
| Cp,gas | 573.50 | J/mol×K | 714.81 | Joback Calculated Property |
| Cp,gas | 586.89 | J/mol×K | 745.30 | Joback Calculated Property |
| Cp,gas | 599.58 | J/mol×K | 775.78 | Joback Calculated Property |
| Cp,gas | 611.57 | J/mol×K | 806.26 | Joback Calculated Property |
| Cp,gas | 622.88 | J/mol×K | 836.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-isobutyryl-, pentyl ester.
Sources
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