- InChI
- InChI=1S/C9H10BrNO/c1-7-3-2-4-8(5-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
- InChI Key
- FSQVBULEPAWPNF-UHFFFAOYSA-N
- Formula
- C9H10BrNO
- SMILES
- Cc1cccc(NC(=O)CBr)c1
- Molecular Weight1
- 228.09
- 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° | 102.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.18 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.328 | Crippen Calculated Property | |
| McVol | 142.960 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | [1622.00; 1622.00] |
|
|
| Inp | 1622.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Tboil | 607.18 | K | Joback Calculated Property |
| Tc | 840.54 | K | Joback Calculated Property |
| Tfus | 392.52 | K | Joback Calculated Property |
| Vc | 0.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.03; 370.69] | J/mol×K | [607.18; 840.54] |
|
| Cp,gas | 313.03 | J/mol×K | 607.18 | Joback Calculated Property |
| Cp,gas | 324.57 | J/mol×K | 646.07 | Joback Calculated Property |
| Cp,gas | 335.27 | J/mol×K | 684.97 | Joback Calculated Property |
| Cp,gas | 345.19 | J/mol×K | 723.86 | Joback Calculated Property |
| Cp,gas | 354.37 | J/mol×K | 762.75 | Joback Calculated Property |
| Cp,gas | 362.85 | J/mol×K | 801.64 | Joback Calculated Property |
| Cp,gas | 370.69 | J/mol×K | 840.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(3-methylphenyl)-2-bromo-.
Sources
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