- InChI
- InChI=1S/C10H8BrNO2/c1-7(11)10(13)14-9-4-2-8(6-12)3-5-9/h2-5,7H,1H3
- InChI Key
- FAAGNDLVLVABEZ-UHFFFAOYSA-N
- Formula
- C10H8BrNO2
- SMILES
- CC(Br)C(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 254.08
- 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° | 47.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 2.247 | Crippen Calculated Property | |
| McVol | 154.320 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | [1643.00; 1643.00] |
|
|
| Inp | 1643.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Tboil | 703.95 | K | Joback Calculated Property |
| Tc | 948.30 | K | Joback Calculated Property |
| Tfus | 423.35 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.23; 400.46] | J/mol×K | [703.95; 948.30] |
|
| Cp,gas | 353.23 | J/mol×K | 703.95 | Joback Calculated Property |
| Cp,gas | 362.98 | J/mol×K | 744.67 | Joback Calculated Property |
| Cp,gas | 371.94 | J/mol×K | 785.40 | Joback Calculated Property |
| Cp,gas | 380.13 | J/mol×K | 826.12 | Joback Calculated Property |
| Cp,gas | 387.60 | J/mol×K | 866.85 | Joback Calculated Property |
| Cp,gas | 394.37 | J/mol×K | 907.57 | Joback Calculated Property |
| Cp,gas | 400.46 | J/mol×K | 948.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromopropionic acid, 4-cyanophenyl ester.
Sources
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