- InChI
- InChI=1S/C11H13Cl2NO/c1-2-3-4-11(15)14-8-5-6-9(12)10(13)7-8/h5-7H,2-4H2,1H3,(H,14,15)
- InChI Key
- BMSSRNRFXGWOEZ-UHFFFAOYSA-N
- Formula
- C11H13Cl2NO
- SMILES
- CCCCC(=O)Nc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 246.13
- 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° | 71.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 4.122 | Crippen Calculated Property | |
| McVol | 178.120 | ml/mol | McGowan Calculated Property |
| Pc | 2574.11 | kPa | Joback Calculated Property |
| Inp | 2030.00 | NIST | |
| Tboil | 666.62 | K | Joback Calculated Property |
| Tc | 887.14 | K | Joback Calculated Property |
| Tfus | 427.62 | K | Joback Calculated Property |
| Vc | 0.682 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.93; 482.52] | J/mol×K | [666.62; 887.14] | 
|
| Cp,gas | 420.93 | J/mol×K | 666.62 | Joback Calculated Property |
| Cp,gas | 433.11 | J/mol×K | 703.37 | Joback Calculated Property |
| Cp,gas | 444.48 | J/mol×K | 740.13 | Joback Calculated Property |
| Cp,gas | 455.07 | J/mol×K | 776.88 | Joback Calculated Property |
| Cp,gas | 464.92 | J/mol×K | 813.64 | Joback Calculated Property |
| Cp,gas | 474.06 | J/mol×K | 850.39 | Joback Calculated Property |
| Cp,gas | 482.52 | J/mol×K | 887.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3',4'-Dichlorovaleroanilide.
Sources
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