- InChI
- InChI=1S/C18H14Cl2N2O2/c19-13-15(21-11-7-3-1-4-8-11)17(23)14(20)16(18(13)24)22-12-9-5-2-6-10-12/h1-10,21-24H
- InChI Key
- GKSAMJFHCPTQOS-UHFFFAOYSA-N
- Formula
- C18H14Cl2N2O2
- SMILES
-
Oc1c(Cl)c(Nc2ccccc2)c(O)c(Cl)c
1Nc1ccccc1 - Molecular Weight1
- 361.22
- CAS
- 101716-14-7
- 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).
- 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° | 254.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 5.892 | Crippen Calculated Property | |
| McVol | 249.380 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 1042.66 | K | Joback Calculated Property |
| Tc | 1316.80 | K | Joback Calculated Property |
| Tfus | 798.04 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.61; 834.93] | J/mol×K | [1042.66; 1316.80] | 
|
| Cp,gas | 731.61 | J/mol×K | 1042.66 | Joback Calculated Property |
| Cp,gas | 746.12 | J/mol×K | 1088.35 | Joback Calculated Property |
| Cp,gas | 761.32 | J/mol×K | 1134.04 | Joback Calculated Property |
| Cp,gas | 777.51 | J/mol×K | 1179.73 | Joback Calculated Property |
| Cp,gas | 794.98 | J/mol×K | 1225.42 | Joback Calculated Property |
| Cp,gas | 814.02 | J/mol×K | 1271.11 | Joback Calculated Property |
| Cp,gas | 834.93 | J/mol×K | 1316.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dianilino-3,6-dichloro hydroquinone.
Sources
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