- InChI
- InChI=1S/C9H13NO4/c1-4-9(3)6(14-5(2)11)7(12)10-8(9)13/h6H,4H2,1-3H3,(H,10,12,13)
- InChI Key
- GEENBIYQOOCZCA-UHFFFAOYSA-N
- Formula
- C9H13NO4
- SMILES
- CCC1(C)C(=O)NC(=O)C1OC(C)=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° | -343.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.83 | 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 | 3269.04 | kPa | Joback Calculated Property |
| Inp | [1350.00; 1350.00] |
|
|
| Inp | 1350.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Tboil | 676.65 | K | Joback Calculated Property |
| Tc | 916.57 | K | Joback Calculated Property |
| Tfus | 535.38 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.14; 493.69] | J/mol×K | [676.65; 916.57] |
|
| Cp,gas | 410.14 | J/mol×K | 676.65 | Joback Calculated Property |
| Cp,gas | 425.68 | J/mol×K | 716.64 | Joback Calculated Property |
| Cp,gas | 440.53 | J/mol×K | 756.62 | Joback Calculated Property |
| Cp,gas | 454.72 | J/mol×K | 796.61 | Joback Calculated Property |
| Cp,gas | 468.29 | J/mol×K | 836.60 | Joback Calculated Property |
| Cp,gas | 481.27 | J/mol×K | 876.59 | Joback Calculated Property |
| Cp,gas | 493.69 | J/mol×K | 916.57 | Joback Calculated Property |
Similar Compounds
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Sources
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