- InChI
- InChI=1S/C15H22ClNO/c1-3-4-5-6-7-8-15(18)17-13-10-9-12(2)14(16)11-13/h9-11H,3-8H2,1-2H3,(H,17,18)
- InChI Key
- DVALOEZCMKHMOP-UHFFFAOYSA-N
- Formula
- C15H22ClNO
- SMILES
- CCCCCCCC(=O)Nc1ccc(C)c(Cl)c1
- Molecular Weight1
- 267.79
- 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° | 117.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.947 | Crippen Calculated Property | |
| McVol | 222.240 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [2230.00; 2230.00] |
|
|
| Inp | 2230.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Tboil | 720.71 | K | Joback Calculated Property |
| Tc | 925.62 | K | Joback Calculated Property |
| Tfus | 442.78 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.05; 681.29] | J/mol×K | [720.71; 925.62] |
|
| Cp,gas | 603.05 | J/mol×K | 720.71 | Joback Calculated Property |
| Cp,gas | 618.25 | J/mol×K | 754.86 | Joback Calculated Property |
| Cp,gas | 632.54 | J/mol×K | 789.01 | Joback Calculated Property |
| Cp,gas | 645.96 | J/mol×K | 823.16 | Joback Calculated Property |
| Cp,gas | 658.53 | J/mol×K | 857.32 | Joback Calculated Property |
| Cp,gas | 670.29 | J/mol×K | 891.47 | Joback Calculated Property |
| Cp,gas | 681.29 | J/mol×K | 925.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3'-chloro,4'-methylcapryloanilide.
Sources
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