- InChI
- InChI=1S/C13H26ClNO/c1-2-3-4-5-6-9-12-15-13(16)10-7-8-11-14/h2-12H2,1H3,(H,15,16)
- InChI Key
- RDGNMEAMKZMHMK-UHFFFAOYSA-N
- Formula
- C13H26ClNO
- SMILES
- CCCCCCCCNC(=O)CCCCCl
- Molecular Weight1
- 247.81
- 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° | 7.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 3.872 | Crippen Calculated Property | |
| McVol | 217.820 | ml/mol | McGowan Calculated Property |
| Pc | 1697.70 | kPa | Joback Calculated Property |
| Inp | [2037.00; 2037.00] |
|
|
| Inp | 2037.00 | NIST | |
| Inp | 2037.00 | NIST | |
| Tboil | 638.31 | K | Joback Calculated Property |
| Tc | 814.69 | K | Joback Calculated Property |
| Tfus | 368.78 | K | Joback Calculated Property |
| Vc | 0.854 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.07; 660.45] | J/mol×K | [638.31; 814.69] |
|
| Cp,gas | 577.07 | J/mol×K | 638.31 | Joback Calculated Property |
| Cp,gas | 592.73 | J/mol×K | 667.71 | Joback Calculated Property |
| Cp,gas | 607.65 | J/mol×K | 697.10 | Joback Calculated Property |
| Cp,gas | 621.86 | J/mol×K | 726.50 | Joback Calculated Property |
| Cp,gas | 635.38 | J/mol×K | 755.90 | Joback Calculated Property |
| Cp,gas | 648.24 | J/mol×K | 785.29 | Joback Calculated Property |
| Cp,gas | 660.45 | J/mol×K | 814.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeramide, 5-chloro-N-octyl-.
Sources
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