- InChI
- InChI=1S/C15H20ClNO3/c1-3-4-7-10-20-14(18)11-17(2)15(19)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
- InChI Key
- KELZJYIYVCWDRO-UHFFFAOYSA-N
- Formula
- C15H20ClNO3
- SMILES
-
CCCCCOC(=O)CN(C)C(=O)c1ccccc1C
l - 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° | -85.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.67 | Crippen Calculated Property | |
| logPoct/wat | 3.145 | Crippen Calculated Property | |
| McVol | 229.680 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| Inp | [2220.00; 2220.00] |
|
|
| Inp | 2220.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 754.29 | K | Joback Calculated Property |
| Tc | 960.82 | K | Joback Calculated Property |
| Tfus | 482.23 | K | Joback Calculated Property |
| Vc | 0.865 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.22; 704.40] | J/mol×K | [754.29; 960.82] |
|
| Cp,gas | 633.22 | J/mol×K | 754.29 | Joback Calculated Property |
| Cp,gas | 647.38 | J/mol×K | 788.71 | Joback Calculated Property |
| Cp,gas | 660.57 | J/mol×K | 823.13 | Joback Calculated Property |
| Cp,gas | 672.83 | J/mol×K | 857.55 | Joback Calculated Property |
| Cp,gas | 684.20 | J/mol×K | 891.97 | Joback Calculated Property |
| Cp,gas | 694.71 | J/mol×K | 926.40 | Joback Calculated Property |
| Cp,gas | 704.40 | J/mol×K | 960.82 | Joback Calculated Property |
Similar Compounds
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Sources
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