- InChI
- InChI=1S/C9H10BrNO2/c1-13-6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,11,12)
- InChI Key
- UWPRWZGIASZACV-UHFFFAOYSA-N
- Formula
- C9H10BrNO2
- SMILES
- COCC(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 244.09
- 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° | -2.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 2.034 | Crippen Calculated Property | |
| McVol | 148.830 | ml/mol | McGowan Calculated Property |
| Pc | 3727.11 | kPa | Joback Calculated Property |
| Inp | [1739.00; 1739.00] |
|
|
| Inp | 1739.00 | NIST | |
| Inp | 1739.00 | NIST | |
| Tboil | 629.60 | K | Joback Calculated Property |
| Tc | 859.62 | K | Joback Calculated Property |
| Tfus | 414.75 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.82; 392.70] | J/mol×K | [629.60; 859.62] |
|
| Cp,gas | 335.82 | J/mol×K | 629.60 | Joback Calculated Property |
| Cp,gas | 347.16 | J/mol×K | 667.94 | Joback Calculated Property |
| Cp,gas | 357.72 | J/mol×K | 706.27 | Joback Calculated Property |
| Cp,gas | 367.53 | J/mol×K | 744.61 | Joback Calculated Property |
| Cp,gas | 376.62 | J/mol×K | 782.95 | Joback Calculated Property |
| Cp,gas | 384.99 | J/mol×K | 821.28 | Joback Calculated Property |
| Cp,gas | 392.70 | J/mol×K | 859.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(4-bromophenyl)-2-methoxy-.
Sources
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