- InChI
- InChI=1S/C14H11Cl2NO/c15-12-7-6-11(9-13(12)16)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)
- InChI Key
- WOLDJAKASQLODM-UHFFFAOYSA-N
- Formula
- C14H11Cl2NO
- SMILES
-
O=C(Cc1ccccc1)Nc1ccc(Cl)c(Cl)c
1 - Molecular Weight1
- 280.15
- CAS
- 27816-82-6
- 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).
- 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 | 0.6307 | Relay (1.0) Calculated Property | |
| ΔfG° | 209.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -60.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.175 | Crippen Calculated Property | |
| McVol | 196.630 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Tboil | 631.74 | K | Relay (1.0) Calculated Property |
| Tc | 954.59 | K | Relay (1.0) Calculated Property |
| Tfus | 393.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.46; 542.92] | J/mol×K | [761.94; 1011.67] | 
|
| Cp,gas | 485.46 | J/mol×K | 761.94 | Joback Calculated Property |
| Cp,gas | 497.48 | J/mol×K | 803.56 | Joback Calculated Property |
| Cp,gas | 508.43 | J/mol×K | 845.18 | Joback Calculated Property |
| Cp,gas | 518.37 | J/mol×K | 886.80 | Joback Calculated Property |
| Cp,gas | 527.38 | J/mol×K | 928.43 | Joback Calculated Property |
| Cp,gas | 535.54 | J/mol×K | 970.05 | Joback Calculated Property |
| Cp,gas | 542.92 | J/mol×K | 1011.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3',4'-Dichlorophenylacetanilide.
Sources
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