- InChI
- InChI=1S/C15H20ClNO3/c1-2-3-6-11-20-14(18)9-10-17-15(19)12-7-4-5-8-13(12)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,19)
- InChI Key
- MMWDKJCCDUDHPZ-UHFFFAOYSA-N
- Formula
- C15H20ClNO3
- SMILES
- CCCCCOC(=O)CCNC(=O)c1ccccc1Cl
- Molecular Weight1
- 297.78
- 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° | -107.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.65 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.193 | Crippen Calculated Property | |
| McVol | 229.680 | ml/mol | McGowan Calculated Property |
| Pc | 1963.07 | kPa | Joback Calculated Property |
| Inp | 2347.00 | NIST | |
| Tboil | 792.02 | K | Joback Calculated Property |
| Tc | 1001.35 | K | Joback Calculated Property |
| Tfus | 502.42 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.16; 713.66] | J/mol×K | [792.02; 1001.35] | 
|
| Cp,gas | 647.16 | J/mol×K | 792.02 | Joback Calculated Property |
| Cp,gas | 660.53 | J/mol×K | 826.91 | Joback Calculated Property |
| Cp,gas | 672.95 | J/mol×K | 861.80 | Joback Calculated Property |
| Cp,gas | 684.45 | J/mol×K | 896.69 | Joback Calculated Property |
| Cp,gas | 695.04 | J/mol×K | 931.58 | Joback Calculated Property |
| Cp,gas | 704.77 | J/mol×K | 966.46 | Joback Calculated Property |
| Cp,gas | 713.66 | J/mol×K | 1001.35 | Joback Calculated Property |
Similar Compounds
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Sources
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