- InChI
- InChI=1S/C10H11Cl2NO/c1-2-3-10(14)13-7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3,(H,13,14)
- InChI Key
- NNIIRGXUFKHOKI-UHFFFAOYSA-N
- Formula
- C10H11Cl2NO
- SMILES
- CCCC(=O)Nc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 232.11
- 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 | 0.6137 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.732 | Crippen Calculated Property | |
| McVol | 164.030 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Inp | [1928.00; 1928.00] |
|
|
| Inp | 1928.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Tboil | 574.22 | K | Relay (1.0) Calculated Property |
| Tc | 840.14 | K | Relay (1.0) Calculated Property |
| Tfus | 366.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.05; 429.91] | J/mol×K | [643.74; 868.27] |
|
| Cp,gas | 372.05 | J/mol×K | 643.74 | Joback Calculated Property |
| Cp,gas | 383.53 | J/mol×K | 681.16 | Joback Calculated Property |
| Cp,gas | 394.23 | J/mol×K | 718.58 | Joback Calculated Property |
| Cp,gas | 404.19 | J/mol×K | 756.01 | Joback Calculated Property |
| Cp,gas | 413.43 | J/mol×K | 793.43 | Joback Calculated Property |
| Cp,gas | 421.99 | J/mol×K | 830.85 | Joback Calculated Property |
| Cp,gas | 429.91 | J/mol×K | 868.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3',4'-Dichlorobutyroanilide.
Sources
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