- InChI
- InChI=1S/C9H8BrNO4/c1-6(10)9(12)15-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3
- InChI Key
- LOVOFTZGZYJDIM-UHFFFAOYSA-N
- Formula
- C9H8BrNO4
- SMILES
-
CC(Br)C(=O)Oc1ccc([N+](=O)[O-]
)cc1 - Molecular Weight1
- 274.07
- 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° | -58.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 2.284 | Crippen Calculated Property | |
| McVol | 156.270 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Inp | 1760.00 | NIST | |
| Tboil | 730.83 | K | Joback Calculated Property |
| Tc | 988.84 | K | Joback Calculated Property |
| Tfus | 490.70 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.16; 424.03] | J/mol×K | [730.83; 988.84] | 
|
| Cp,gas | 376.16 | J/mol×K | 730.83 | Joback Calculated Property |
| Cp,gas | 386.34 | J/mol×K | 773.83 | Joback Calculated Property |
| Cp,gas | 395.59 | J/mol×K | 816.83 | Joback Calculated Property |
| Cp,gas | 403.94 | J/mol×K | 859.84 | Joback Calculated Property |
| Cp,gas | 411.44 | J/mol×K | 902.84 | Joback Calculated Property |
| Cp,gas | 418.12 | J/mol×K | 945.84 | Joback Calculated Property |
| Cp,gas | 424.03 | J/mol×K | 988.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromopropionic acid, 4-nitrophenyl ester.
Sources
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