- InChI
- InChI=1S/C13H17NO3/c1-4-17-12(15)9-14(3)13(16)11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3
- InChI Key
- NSNPADWYDRFDIW-UHFFFAOYSA-N
- Formula
- C13H17NO3
- SMILES
- CCOC(=O)CN(C)C(=O)c1cccc(C)c1
- Molecular Weight1
- 235.28
- 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° | -90.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 1.630 | Crippen Calculated Property | |
| McVol | 189.260 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Inp | [1882.00; 1882.00] |
|
|
| Inp | 1882.00 | NIST | |
| Inp | 1882.00 | NIST | |
| Tboil | 671.10 | K | Joback Calculated Property |
| Tc | 879.20 | K | Joback Calculated Property |
| Tfus | 429.77 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.97; 573.58] | J/mol×K | [671.10; 879.20] |
|
| Cp,gas | 499.97 | J/mol×K | 671.10 | Joback Calculated Property |
| Cp,gas | 514.45 | J/mol×K | 705.78 | Joback Calculated Property |
| Cp,gas | 528.00 | J/mol×K | 740.47 | Joback Calculated Property |
| Cp,gas | 540.67 | J/mol×K | 775.15 | Joback Calculated Property |
| Cp,gas | 552.47 | J/mol×K | 809.83 | Joback Calculated Property |
| Cp,gas | 563.43 | J/mol×K | 844.52 | Joback Calculated Property |
| Cp,gas | 573.58 | J/mol×K | 879.20 | Joback Calculated Property |
Similar Compounds
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Sources
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