- InChI
- InChI=1S/C8H6BrNO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2
- InChI Key
- HVNXGOPARVAZNX-UHFFFAOYSA-N
- Formula
- C8H6BrNO4
- SMILES
-
O=C(CBr)Oc1ccc([N+](=O)[O-])cc
1 - Molecular Weight1
- 260.04
- CAS
- 19199-82-7
- Other Names
-
- 4-Nitrophenyl bromoacetate
- Bromoacetic acid, 4-nitrophenyl ester
- Acetic acid, 2-bromo-, 4-nitrophenyl ester
- 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° | -64.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 1.895 | Crippen Calculated Property | |
| McVol | 142.180 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | [1748.00; 1748.00] |
|
|
| Inp | 1748.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Tboil | 708.39 | K | Joback Calculated Property |
| Tc | 967.12 | K | Joback Calculated Property |
| Tfus | 494.43 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.41; 369.69] | J/mol×K | [708.39; 967.12] |
|
| Cp,gas | 326.41 | J/mol×K | 708.39 | Joback Calculated Property |
| Cp,gas | 335.62 | J/mol×K | 751.51 | Joback Calculated Property |
| Cp,gas | 343.98 | J/mol×K | 794.63 | Joback Calculated Property |
| Cp,gas | 351.53 | J/mol×K | 837.75 | Joback Calculated Property |
| Cp,gas | 358.31 | J/mol×K | 880.88 | Joback Calculated Property |
| Cp,gas | 364.35 | J/mol×K | 924.00 | Joback Calculated Property |
| Cp,gas | 369.69 | J/mol×K | 967.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Nitrophenyl bromoacetate.
Sources
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