- InChI
- InChI=1S/C13H16ClNO3/c1-3-8-18-13(17)9(2)15-12(16)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,16)
- InChI Key
- VGTRQCWOAIEZNT-UHFFFAOYSA-N
- Formula
- C13H16ClNO3
- SMILES
- CCCOC(=O)C(C)NC(=O)c1ccccc1Cl
- Molecular Weight1
- 269.72
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6736 | Relay (1.0) Calculated Property | |
| ΔfG° | -126.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.411 | Crippen Calculated Property | |
| McVol | 201.500 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | 2035.00 | NIST | |
| Tboil | 586.81 | K | Relay (1.0) Calculated Property |
| Tc | 825.15 | K | Relay (1.0) Calculated Property |
| Tfus | 351.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.721 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.42; 602.95] | J/mol×K | [745.82; 963.08] | 
|
| Cp,gas | 539.42 | J/mol×K | 745.82 | Joback Calculated Property |
| Cp,gas | 552.29 | J/mol×K | 782.03 | Joback Calculated Property |
| Cp,gas | 564.20 | J/mol×K | 818.24 | Joback Calculated Property |
| Cp,gas | 575.20 | J/mol×K | 854.45 | Joback Calculated Property |
| Cp,gas | 585.31 | J/mol×K | 890.66 | Joback Calculated Property |
| Cp,gas | 594.55 | J/mol×K | 926.87 | Joback Calculated Property |
| Cp,gas | 602.95 | J/mol×K | 963.08 | Joback Calculated Property |
Similar Compounds
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Sources
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