- InChI
- InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)
- InChI Key
- JXLOEMYUSALHDJ-UHFFFAOYSA-N
- Formula
- C13H20ClN3O
- SMILES
- CCN(CC)CCNC(=O)c1ccc(N)cc1Cl
- Molecular Weight1
- 269.77
- CAS
- 840-10-8
- 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).
- 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° | 277.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 1.994 | Crippen Calculated Property | |
| McVol | 214.020 | ml/mol | McGowan Calculated Property |
| Pc | 2331.52 | kPa | Joback Calculated Property |
| Tboil | 759.92 | K | Joback Calculated Property |
| Tc | 974.33 | K | Joback Calculated Property |
| Tfus | 535.97 | K | Joback Calculated Property |
| Vc | 0.792 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.39; 667.19] | J/mol×K | [759.92; 974.33] | 
|
| Cp,gas | 598.39 | J/mol×K | 759.92 | Joback Calculated Property |
| Cp,gas | 612.01 | J/mol×K | 795.65 | Joback Calculated Property |
| Cp,gas | 624.70 | J/mol×K | 831.39 | Joback Calculated Property |
| Cp,gas | 636.51 | J/mol×K | 867.12 | Joback Calculated Property |
| Cp,gas | 647.50 | J/mol×K | 902.86 | Joback Calculated Property |
| Cp,gas | 657.71 | J/mol×K | 938.59 | Joback Calculated Property |
| Cp,gas | 667.19 | J/mol×K | 974.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(beta-diethylaminoethyl)-2-chloro-4-aminobenzamide.
Sources
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