- InChI
- InChI=1S/C15H21NO3/c1-3-4-11-19-14(17)9-10-16-15(18)13-8-6-5-7-12(13)2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)
- InChI Key
- HZJQISTWCBUYRZ-UHFFFAOYSA-N
- Formula
- C15H21NO3
- SMILES
- CCCCOC(=O)CCNC(=O)c1ccccc1C
- Molecular Weight1
- 263.33
- 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° | -95.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.67 | Crippen Calculated Property | |
| logPoct/wat | 2.458 | Crippen Calculated Property | |
| McVol | 217.440 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | 2147.00 | NIST | |
| Tboil | 754.59 | K | Joback Calculated Property |
| Tc | 960.29 | K | Joback Calculated Property |
| Tfus | 472.50 | K | Joback Calculated Property |
| Vc | 0.833 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.45; 694.55] | J/mol×K | [754.59; 960.29] | 
|
| Cp,gas | 621.45 | J/mol×K | 754.59 | Joback Calculated Property |
| Cp,gas | 635.94 | J/mol×K | 788.87 | Joback Calculated Property |
| Cp,gas | 649.47 | J/mol×K | 823.16 | Joback Calculated Property |
| Cp,gas | 662.07 | J/mol×K | 857.44 | Joback Calculated Property |
| Cp,gas | 673.77 | J/mol×K | 891.72 | Joback Calculated Property |
| Cp,gas | 684.59 | J/mol×K | 926.01 | Joback Calculated Property |
| Cp,gas | 694.55 | J/mol×K | 960.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(2-methylbenzoyl)-, butyl ester.
Sources
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