- InChI
- InChI=1S/C17H24ClNO3/c1-2-3-4-5-6-13-22-16(20)11-12-19-17(21)14-7-9-15(18)10-8-14/h7-10H,2-6,11-13H2,1H3,(H,19,21)
- InChI Key
- UWBPWJOATPCNSY-UHFFFAOYSA-N
- Formula
- C17H24ClNO3
- SMILES
-
CCCCCCCOC(=O)CCNC(=O)c1ccc(Cl)
cc1 - Molecular Weight1
- 325.83
- 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° | -90.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 3.974 | Crippen Calculated Property | |
| McVol | 257.860 | ml/mol | McGowan Calculated Property |
| Pc | 1667.33 | kPa | Joback Calculated Property |
| Inp | 2594.00 | NIST | |
| Tboil | 837.78 | K | Joback Calculated Property |
| Tc | 1045.03 | K | Joback Calculated Property |
| Tfus | 524.96 | K | Joback Calculated Property |
| Vc | 0.994 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.50; 828.72] | J/mol×K | [837.78; 1045.03] | 
|
| Cp,gas | 759.50 | J/mol×K | 837.78 | Joback Calculated Property |
| Cp,gas | 773.45 | J/mol×K | 872.32 | Joback Calculated Property |
| Cp,gas | 786.39 | J/mol×K | 906.86 | Joback Calculated Property |
| Cp,gas | 798.35 | J/mol×K | 941.41 | Joback Calculated Property |
| Cp,gas | 809.37 | J/mol×K | 975.95 | Joback Calculated Property |
| Cp,gas | 819.49 | J/mol×K | 1010.49 | Joback Calculated Property |
| Cp,gas | 828.72 | J/mol×K | 1045.03 | Joback Calculated Property |
Similar Compounds
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Sources
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