- InChI
- InChI=1S/C12H14ClNO3/c1-3-17-11(15)8-14(2)12(16)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3
- InChI Key
- RBBWFAMCKUUJGX-UHFFFAOYSA-N
- Formula
- C12H14ClNO3
- SMILES
- CCOC(=O)CN(C)C(=O)c1ccccc1Cl
- Molecular Weight1
- 255.70
- 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° | -111.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.57 | kJ/mol | Joback Calculated Property |
| log10WS | -2.42 | Crippen Calculated Property | |
| logPoct/wat | 1.975 | Crippen Calculated Property | |
| McVol | 187.410 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Inp | 1928.00 | NIST | |
| Tboil | 685.65 | K | Joback Calculated Property |
| Tc | 900.24 | K | Joback Calculated Property |
| Tfus | 448.42 | K | Joback Calculated Property |
| Vc | 0.697 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.52; 539.18] | J/mol×K | [685.65; 900.24] | 
|
| Cp,gas | 474.52 | J/mol×K | 685.65 | Joback Calculated Property |
| Cp,gas | 487.43 | J/mol×K | 721.42 | Joback Calculated Property |
| Cp,gas | 499.45 | J/mol×K | 757.18 | Joback Calculated Property |
| Cp,gas | 510.61 | J/mol×K | 792.95 | Joback Calculated Property |
| Cp,gas | 520.93 | J/mol×K | 828.71 | Joback Calculated Property |
| Cp,gas | 530.44 | J/mol×K | 864.48 | Joback Calculated Property |
| Cp,gas | 539.18 | J/mol×K | 900.24 | Joback Calculated Property |
Similar Compounds
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Sources
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