- InChI
- InChI=1S/C10H14ClN/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7,12H,1-3H3
- InChI Key
- BWQVJYBZWVXQPE-UHFFFAOYSA-N
- Formula
- C10H14ClN
- SMILES
- CC(C)(C)Nc1ccc(Cl)cc1
- Molecular Weight1
- 183.68
- CAS
- 48131-06-2
- 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 | 0.4565 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -48.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.550 | Crippen Calculated Property | |
| McVol | 150.220 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Tboil | 521.23 | K | Relay (1.0) Calculated Property |
| Tc | 743.14 | K | Relay (1.0) Calculated Property |
| Tfus | 358.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.26; 411.43] | J/mol×K | [544.23; 770.30] | 
|
| Cp,gas | 336.26 | J/mol×K | 544.23 | Joback Calculated Property |
| Cp,gas | 351.24 | J/mol×K | 581.91 | Joback Calculated Property |
| Cp,gas | 365.16 | J/mol×K | 619.59 | Joback Calculated Property |
| Cp,gas | 378.07 | J/mol×K | 657.27 | Joback Calculated Property |
| Cp,gas | 390.05 | J/mol×K | 694.94 | Joback Calculated Property |
| Cp,gas | 401.14 | J/mol×K | 732.62 | Joback Calculated Property |
| Cp,gas | 411.43 | J/mol×K | 770.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, n-tert-butyl-4-chloro-.
Sources
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