- InChI
- InChI=1S/C14H18ClNO3/c1-3-4-9-19-13(17)10-16(2)14(18)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3
- InChI Key
- XKYYSPFBLCOTSW-UHFFFAOYSA-N
- Formula
- C14H18ClNO3
- SMILES
- CCCCOC(=O)CN(C)C(=O)c1ccccc1Cl
- Molecular Weight1
- 283.75
- 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° | -94.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 2.755 | Crippen Calculated Property | |
| McVol | 215.590 | ml/mol | McGowan Calculated Property |
| Pc | 2111.94 | kPa | Joback Calculated Property |
| Inp | [2152.00; 2152.00] |
|
|
| Inp | 2152.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Tboil | 731.41 | K | Joback Calculated Property |
| Tc | 940.17 | K | Joback Calculated Property |
| Tfus | 470.96 | K | Joback Calculated Property |
| Vc | 0.808 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.14; 648.47] | J/mol×K | [731.41; 940.17] |
|
| Cp,gas | 579.14 | J/mol×K | 731.41 | Joback Calculated Property |
| Cp,gas | 592.94 | J/mol×K | 766.20 | Joback Calculated Property |
| Cp,gas | 605.80 | J/mol×K | 801.00 | Joback Calculated Property |
| Cp,gas | 617.75 | J/mol×K | 835.79 | Joback Calculated Property |
| Cp,gas | 628.82 | J/mol×K | 870.58 | Joback Calculated Property |
| Cp,gas | 639.05 | J/mol×K | 905.37 | Joback Calculated Property |
| Cp,gas | 648.47 | J/mol×K | 940.17 | Joback Calculated Property |
Similar Compounds
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Sources
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