- InChI
- InChI=1S/C10H10BrNO3/c1-15-9(13)6-12-10(14)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)
- InChI Key
- BFHPUFUZMOHHQO-UHFFFAOYSA-N
- Formula
- C10H10BrNO3
- SMILES
- COC(=O)CNC(=O)c1ccc(Br)cc1
- Molecular Weight1
- 272.10
- 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° | -123.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 1.352 | Crippen Calculated Property | |
| McVol | 164.490 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Inp | [1930.00; 1930.00] |
|
|
| Inp | 1930.00 | NIST | |
| Inp | 1930.00 | NIST | |
| Tboil | 706.35 | K | Joback Calculated Property |
| Tc | 937.99 | K | Joback Calculated Property |
| Tfus | 475.95 | K | Joback Calculated Property |
| Vc | 0.615 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.72; 446.70] | J/mol×K | [706.35; 937.99] |
|
| Cp,gas | 394.72 | J/mol×K | 706.35 | Joback Calculated Property |
| Cp,gas | 405.35 | J/mol×K | 744.96 | Joback Calculated Property |
| Cp,gas | 415.16 | J/mol×K | 783.56 | Joback Calculated Property |
| Cp,gas | 424.17 | J/mol×K | 822.17 | Joback Calculated Property |
| Cp,gas | 432.41 | J/mol×K | 860.77 | Joback Calculated Property |
| Cp,gas | 439.91 | J/mol×K | 899.38 | Joback Calculated Property |
| Cp,gas | 446.70 | J/mol×K | 937.99 | Joback Calculated Property |
Similar Compounds
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Sources
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