- InChI
- InChI=1S/C9H13NO4/c1-5(14-6(2)11)9(3)4-7(12)10-8(9)13/h5H,4H2,1-3H3,(H,10,12,13)
- InChI Key
- HPPSBFDEKMLBAO-UHFFFAOYSA-N
- Formula
- C9H13NO4
- SMILES
- CC(=O)OC(C)C1(C)CC(=O)NC1=O
- Molecular Weight1
- 199.20
- 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° | -337.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -641.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.75 | kJ/mol | Joback Calculated Property |
| log10WS | -0.96 | Crippen Calculated Property | |
| logPoct/wat | -0.009 | Crippen Calculated Property | |
| McVol | 147.370 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Inp | 1390.00 | NIST | |
| Tboil | 680.88 | K | Joback Calculated Property |
| Tc | 925.64 | K | Joback Calculated Property |
| Tfus | 524.62 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.83; 490.56] | J/mol×K | [680.88; 925.64] | 
|
| Cp,gas | 407.83 | J/mol×K | 680.88 | Joback Calculated Property |
| Cp,gas | 423.24 | J/mol×K | 721.67 | Joback Calculated Property |
| Cp,gas | 437.93 | J/mol×K | 762.47 | Joback Calculated Property |
| Cp,gas | 451.97 | J/mol×K | 803.26 | Joback Calculated Property |
| Cp,gas | 465.39 | J/mol×K | 844.05 | Joback Calculated Property |
| Cp,gas | 478.24 | J/mol×K | 884.84 | Joback Calculated Property |
| Cp,gas | 490.56 | J/mol×K | 925.64 | Joback Calculated Property |
Similar Compounds
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Sources
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