- InChI
- InChI=1S/C11H13BrO2/c1-7-4-8(2)6-10(5-7)14-11(13)9(3)12/h4-6,9H,1-3H3
- InChI Key
- CJYJSYHSFIMPEF-UHFFFAOYSA-N
- Formula
- C11H13BrO2
- SMILES
- Cc1cc(C)cc(OC(=O)C(C)Br)c1
- Molecular Weight1
- 257.12
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -87.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 2.992 | Crippen Calculated Property | |
| McVol | 167.030 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Inp | [1551.00; 1551.00] |
|
|
| Inp | 1551.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Tboil | 629.73 | K | Joback Calculated Property |
| Tc | 858.24 | K | Joback Calculated Property |
| Tfus | 382.15 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.22; 451.17] | J/mol×K | [629.73; 858.24] |
|
| Cp,gas | 384.22 | J/mol×K | 629.73 | Joback Calculated Property |
| Cp,gas | 397.38 | J/mol×K | 667.81 | Joback Calculated Property |
| Cp,gas | 409.71 | J/mol×K | 705.90 | Joback Calculated Property |
| Cp,gas | 421.24 | J/mol×K | 743.98 | Joback Calculated Property |
| Cp,gas | 431.97 | J/mol×K | 782.07 | Joback Calculated Property |
| Cp,gas | 441.95 | J/mol×K | 820.15 | Joback Calculated Property |
| Cp,gas | 451.17 | J/mol×K | 858.24 | Joback Calculated Property |
| η | [0.0001767; 0.0013379] | Pa×s | [382.15; 629.73] |
|
| η | 0.0013379 | Pa×s | 382.15 | Joback Calculated Property |
| η | 0.0008100 | Pa×s | 423.41 | Joback Calculated Property |
| η | 0.0005361 | Pa×s | 464.68 | Joback Calculated Property |
| η | 0.0003795 | Pa×s | 505.94 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 547.20 | Joback Calculated Property |
| η | 0.0002199 | Pa×s | 588.47 | Joback Calculated Property |
| η | 0.0001767 | Pa×s | 629.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromopropionic acid, 3,5-dimethylphenyl ester.
Sources
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