- InChI
- InChI=1S/C12H21Cl2NO2/c1-2-15(11(16)7-3-5-9-13)12(17)8-4-6-10-14/h2-10H2,1H3
- InChI Key
- FDICVUWDKJOUOM-UHFFFAOYSA-N
- Formula
- C12H21Cl2NO2
- SMILES
- CCN(C(=O)CCCCCl)C(=O)CCCCCl
- Molecular Weight1
- 282.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -627.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.64 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.180 | Crippen Calculated Property | |
| McVol | 217.540 | ml/mol | McGowan Calculated Property |
| Inp | 2106.00 | NIST | |
| Tboil | 567.73 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.76; 630.36] | J/mol×K | [669.20; 854.88] | 
|
| Cp,gas | 558.76 | J/mol×K | 669.20 | Joback Calculated Property |
| Cp,gas | 572.47 | J/mol×K | 700.15 | Joback Calculated Property |
| Cp,gas | 585.42 | J/mol×K | 731.09 | Joback Calculated Property |
| Cp,gas | 597.66 | J/mol×K | 762.04 | Joback Calculated Property |
| Cp,gas | 609.21 | J/mol×K | 792.98 | Joback Calculated Property |
| Cp,gas | 620.10 | J/mol×K | 823.93 | Joback Calculated Property |
| Cp,gas | 630.36 | J/mol×K | 854.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-ethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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