- InChI
- InChI=1S/C13H16ClNO3/c1-8(2)11(13(17)18-3)15-12(16)9-6-4-5-7-10(9)14/h4-8,11H,1-3H3,(H,15,16)
- InChI Key
- FUBQWOIKCWKZGE-UHFFFAOYSA-N
- Formula
- C13H16ClNO3
- SMILES
-
COC(=O)C(NC(=O)c1ccccc1Cl)C(C)
C - Molecular Weight1
- 269.72
- 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° | -128.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.267 | Crippen Calculated Property | |
| McVol | 201.500 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | 1913.00 | NIST | |
| Tboil | 745.38 | K | Joback Calculated Property |
| Tc | 966.33 | K | Joback Calculated Property |
| Tfus | 449.88 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.01; 604.27] | J/mol×K | [745.38; 966.33] | 
|
| Cp,gas | 540.01 | J/mol×K | 745.38 | Joback Calculated Property |
| Cp,gas | 553.10 | J/mol×K | 782.20 | Joback Calculated Property |
| Cp,gas | 565.20 | J/mol×K | 819.03 | Joback Calculated Property |
| Cp,gas | 576.34 | J/mol×K | 855.85 | Joback Calculated Property |
| Cp,gas | 586.55 | J/mol×K | 892.68 | Joback Calculated Property |
| Cp,gas | 595.85 | J/mol×K | 929.50 | Joback Calculated Property |
| Cp,gas | 604.27 | J/mol×K | 966.33 | Joback Calculated Property |
Similar Compounds
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Sources
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