- InChI
- InChI=1S/C11H13BrO3/c1-14-9-4-6-10(7-5-9)15-11(13)3-2-8-12/h4-7H,2-3,8H2,1H3
- InChI Key
- RZCZRNVXLRTRTF-UHFFFAOYSA-N
- Formula
- C11H13BrO3
- SMILES
- COc1ccc(OC(=O)CCCBr)cc1
- Molecular Weight1
- 273.12
- 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° | -180.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 2.776 | Crippen Calculated Property | |
| McVol | 172.900 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1821.00; 1821.00] |
|
|
| Inp | 1821.00 | NIST | |
| Inp | 1821.00 | NIST | |
| Tboil | 647.61 | K | Joback Calculated Property |
| Tc | 867.68 | K | Joback Calculated Property |
| Tfus | 406.86 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.94; 474.17] | J/mol×K | [647.61; 867.68] |
|
| Cp,gas | 408.94 | J/mol×K | 647.61 | Joback Calculated Property |
| Cp,gas | 421.77 | J/mol×K | 684.29 | Joback Calculated Property |
| Cp,gas | 433.80 | J/mol×K | 720.97 | Joback Calculated Property |
| Cp,gas | 445.04 | J/mol×K | 757.65 | Joback Calculated Property |
| Cp,gas | 455.51 | J/mol×K | 794.32 | Joback Calculated Property |
| Cp,gas | 465.22 | J/mol×K | 831.00 | Joback Calculated Property |
| Cp,gas | 474.17 | J/mol×K | 867.68 | Joback Calculated Property |
| η | [0.0001501; 0.0010261] | Pa×s | [406.86; 647.61] |
|
| η | 0.0010261 | Pa×s | 406.86 | Joback Calculated Property |
| η | 0.0006451 | Pa×s | 446.99 | Joback Calculated Property |
| η | 0.0004378 | Pa×s | 487.11 | Joback Calculated Property |
| η | 0.0003152 | Pa×s | 527.24 | Joback Calculated Property |
| η | 0.0002377 | Pa×s | 567.36 | Joback Calculated Property |
| η | 0.0001861 | Pa×s | 607.49 | Joback Calculated Property |
| η | 0.0001501 | Pa×s | 647.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 4-methoxyphenyl ester.
Sources
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