- InChI
- InChI=1S/C11H14BrNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
- InChI Key
- ZXYSRVSPDUSHBX-UHFFFAOYSA-N
- Formula
- C11H14BrNO
- SMILES
- CC(C)(C)C(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 256.14
- CAS
- 24109-06-6
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5265 | Relay (... Calculated Property | |
| ΔfG° | 122.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.98 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -3.85 | Relay (... Calculated Property | |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 171.140 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| Inp | [1740.00; 1740.00] |
|
|
| Inp | 1740.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Tboil | 572.25 | K | Relay (... Calculated Property |
| Tc | 808.21 | K | Relay (... Calculated Property |
| Tfus | 422.92 | K | Relay (... Calculated Property |
| Vc | 0.598 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.31; 479.29] | J/mol×K | [649.71; 887.64] |
|
| Cp,gas | 412.31 | J/mol×K | 649.71 | Joback Calculated Property |
| Cp,gas | 425.87 | J/mol×K | 689.37 | Joback Calculated Property |
| Cp,gas | 438.36 | J/mol×K | 729.02 | Joback Calculated Property |
| Cp,gas | 449.86 | J/mol×K | 768.68 | Joback Calculated Property |
| Cp,gas | 460.46 | J/mol×K | 808.33 | Joback Calculated Property |
| Cp,gas | 470.24 | J/mol×K | 847.99 | Joback Calculated Property |
| Cp,gas | 479.29 | J/mol×K | 887.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-bromophenyl)-2,2-dimethyl-.
Sources
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