- InChI
- InChI=1S/C10H14ClN/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7,12H,2-3,8H2,1H3
- InChI Key
- LJRWSALKDLMPRE-UHFFFAOYSA-N
- Formula
- C10H14ClN
- SMILES
- CCCCNc1ccccc1Cl
- Molecular Weight1
- 183.68
- CAS
- 939-61-7
- 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 | 0.4959 | Relay (1.0) Calculated Property | |
| ΔfG° | 213.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 150.220 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Tboil | 525.98 | K | Relay (1.0) Calculated Property |
| Tc | 759.24 | K | Relay (1.0) Calculated Property |
| Tfus | 260.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.86; 405.14] | J/mol×K | [547.46; 759.81] | 
|
| Cp,gas | 332.86 | J/mol×K | 547.46 | Joback Calculated Property |
| Cp,gas | 346.86 | J/mol×K | 582.85 | Joback Calculated Property |
| Cp,gas | 360.03 | J/mol×K | 618.24 | Joback Calculated Property |
| Cp,gas | 372.41 | J/mol×K | 653.64 | Joback Calculated Property |
| Cp,gas | 384.04 | J/mol×K | 689.03 | Joback Calculated Property |
| Cp,gas | 394.93 | J/mol×K | 724.42 | Joback Calculated Property |
| Cp,gas | 405.14 | J/mol×K | 759.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-n-butyl-2-chloroaniline.
Sources
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