- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7828 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.180 | Crippen Calculated Property | |
| McVol | 217.540 | ml/mol | McGowan Calculated Property |
| Pc | 1857.91 | kPa | Joback Calculated Property |
| Inp | 2106.00 | NIST | |
| Tboil | 567.73 | K | Relay (1.0) Calculated Property |
| Tc | 793.75 | K | Relay (1.0) Calculated Property |
| Tfus | 318.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.67; 630.28] | J/mol×K | [669.00; 854.62] | 
|
| Cp,gas | 558.67 | J/mol×K | 669.00 | Joback Calculated Property |
| Cp,gas | 572.38 | J/mol×K | 699.94 | Joback Calculated Property |
| Cp,gas | 585.33 | J/mol×K | 730.87 | Joback Calculated Property |
| Cp,gas | 597.57 | J/mol×K | 761.81 | Joback Calculated Property |
| Cp,gas | 609.12 | J/mol×K | 792.75 | Joback Calculated Property |
| Cp,gas | 620.01 | J/mol×K | 823.68 | Joback Calculated Property |
| Cp,gas | 630.28 | J/mol×K | 854.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-ethyl-.
Sources
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