- InChI
- InChI=1S/C13H18ClNO/c1-3-4-5-6-13(16)15-11-8-7-10(2)12(14)9-11/h7-9H,3-6H2,1-2H3,(H,15,16)
- InChI Key
- ZZBBHLHOEVPZGU-UHFFFAOYSA-N
- Formula
- C13H18ClNO
- SMILES
- CCCCCC(=O)Nc1ccc(C)c(Cl)c1
- Molecular Weight1
- 239.74
- 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° | 100.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 4.167 | Crippen Calculated Property | |
| McVol | 194.060 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | [2031.00; 2031.00] |
|
|
| Inp | 2031.00 | NIST | |
| Inp | 2031.00 | NIST | |
| Tboil | 674.95 | K | Joback Calculated Property |
| Tc | 885.27 | K | Joback Calculated Property |
| Tfus | 420.24 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.00; 570.59] | J/mol×K | [674.95; 885.27] |
|
| Cp,gas | 497.00 | J/mol×K | 674.95 | Joback Calculated Property |
| Cp,gas | 511.33 | J/mol×K | 710.00 | Joback Calculated Property |
| Cp,gas | 524.79 | J/mol×K | 745.06 | Joback Calculated Property |
| Cp,gas | 537.41 | J/mol×K | 780.11 | Joback Calculated Property |
| Cp,gas | 549.23 | J/mol×K | 815.16 | Joback Calculated Property |
| Cp,gas | 560.28 | J/mol×K | 850.22 | Joback Calculated Property |
| Cp,gas | 570.59 | J/mol×K | 885.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3'-chloro,4'-methylcaproanilide.
Sources
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