- InChI
- InChI=1S/C11H12ClNO3/c1-7(11(15)16-2)13-10(14)8-5-3-4-6-9(8)12/h3-7H,1-2H3,(H,13,14)
- InChI Key
- IYECSIXZMPHUOA-UHFFFAOYSA-N
- Formula
- C11H12ClNO3
- SMILES
- COC(=O)C(C)NC(=O)c1ccccc1Cl
- Molecular Weight1
- 241.67
- 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° | -143.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.35 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 1.631 | Crippen Calculated Property | |
| McVol | 173.320 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Inp | 1772.00 | NIST | |
| Tboil | 700.06 | K | Joback Calculated Property |
| Tc | 924.27 | K | Joback Calculated Property |
| Tfus | 442.34 | K | Joback Calculated Property |
| Vc | 0.651 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.75; 494.28] | J/mol×K | [700.06; 924.27] | 
|
| Cp,gas | 435.75 | J/mol×K | 700.06 | Joback Calculated Property |
| Cp,gas | 447.64 | J/mol×K | 737.43 | Joback Calculated Property |
| Cp,gas | 458.64 | J/mol×K | 774.80 | Joback Calculated Property |
| Cp,gas | 468.79 | J/mol×K | 812.17 | Joback Calculated Property |
| Cp,gas | 478.10 | J/mol×K | 849.54 | Joback Calculated Property |
| Cp,gas | 486.59 | J/mol×K | 886.90 | Joback Calculated Property |
| Cp,gas | 494.28 | J/mol×K | 924.27 | Joback Calculated Property |
Similar Compounds
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Sources
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