- InChI
- InChI=1S/C14H18ClNO3/c1-3-4-9-19-14(18)10(2)16-13(17)11-7-5-6-8-12(11)15/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)
- InChI Key
- AIJHHKQKRLVNEK-UHFFFAOYSA-N
- Formula
- C14H18ClNO3
- SMILES
- CCCCOC(=O)C(C)NC(=O)c1ccccc1Cl
- Molecular Weight1
- 283.75
- 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 | 0.7161 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.802 | Crippen Calculated Property | |
| McVol | 215.590 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Inp | [2129.00; 2129.00] |
|
|
| Inp | 2129.00 | NIST | |
| Inp | 2129.00 | NIST | |
| Tboil | 592.41 | K | Relay (1.0) Calculated Property |
| Tc | 836.08 | K | Relay (1.0) Calculated Property |
| Tfus | 339.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.04; 658.49] | J/mol×K | [768.70; 983.20] |
|
| Cp,gas | 593.04 | J/mol×K | 768.70 | Joback Calculated Property |
| Cp,gas | 606.28 | J/mol×K | 804.45 | Joback Calculated Property |
| Cp,gas | 618.55 | J/mol×K | 840.20 | Joback Calculated Property |
| Cp,gas | 629.87 | J/mol×K | 875.95 | Joback Calculated Property |
| Cp,gas | 640.29 | J/mol×K | 911.70 | Joback Calculated Property |
| Cp,gas | 649.82 | J/mol×K | 947.45 | Joback Calculated Property |
| Cp,gas | 658.49 | J/mol×K | 983.20 | Joback Calculated Property |
Similar Compounds
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Sources
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