- InChI
- InChI=1S/C10H13Cl2N/c1-10(2,3)6-4-7(11)8(12)5-9(6)13/h4-5H,13H2,1-3H3
- InChI Key
- RQDBUUPMQBPUGF-UHFFFAOYSA-N
- Formula
- C10H13Cl2N
- SMILES
- CC(C)(C)c1cc(Cl)c(Cl)cc1N
- Molecular Weight1
- 218.12
- 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 | 0.5120 | Relay (1.0) Calculated Property | |
| ΔfG° | 162.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.873 | Crippen Calculated Property | |
| McVol | 162.460 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Tboil | 563.11 | K | Relay (1.0) Calculated Property |
| Tc | 799.59 | K | Relay (1.0) Calculated Property |
| Tfus | 358.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.16; 434.73] | J/mol×K | [613.98; 855.32] | 
|
| Cp,gas | 370.16 | J/mol×K | 613.98 | Joback Calculated Property |
| Cp,gas | 383.09 | J/mol×K | 654.20 | Joback Calculated Property |
| Cp,gas | 395.07 | J/mol×K | 694.43 | Joback Calculated Property |
| Cp,gas | 406.16 | J/mol×K | 734.65 | Joback Calculated Property |
| Cp,gas | 416.42 | J/mol×K | 774.88 | Joback Calculated Property |
| Cp,gas | 425.93 | J/mol×K | 815.10 | Joback Calculated Property |
| Cp,gas | 434.73 | J/mol×K | 855.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 2-tert-butyl-4,5-dichloro-.
Sources
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