- InChI
- InChI=1S/C10H14BrN/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
- InChI Key
- YWVIBERYLABRBJ-UHFFFAOYSA-N
- Formula
- C10H14BrN
- SMILES
- CN(CCCBr)c1ccccc1
- Molecular Weight1
- 228.13
- 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).
- Inp : Non-polar retention indices.
- 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° | 270.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 80.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 155.480 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Inp | 1649.00 | NIST | |
| Tboil | 533.48 | K | Joback Calculated Property |
| Tc | 750.96 | K | Joback Calculated Property |
| Tfus | 321.15 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.42; 408.16] | J/mol×K | [533.48; 750.96] | 
|
| Cp,gas | 332.42 | J/mol×K | 533.48 | Joback Calculated Property |
| Cp,gas | 347.38 | J/mol×K | 569.73 | Joback Calculated Property |
| Cp,gas | 361.33 | J/mol×K | 605.97 | Joback Calculated Property |
| Cp,gas | 374.32 | J/mol×K | 642.22 | Joback Calculated Property |
| Cp,gas | 386.42 | J/mol×K | 678.46 | Joback Calculated Property |
| Cp,gas | 397.68 | J/mol×K | 714.71 | Joback Calculated Property |
| Cp,gas | 408.16 | J/mol×K | 750.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, N-(3-bromopropyl)-N-methyl-.
Sources
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