- InChI
- InChI=1S/C13H15BrO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3
- InChI Key
- RIMFGYAJWSVPHU-UHFFFAOYSA-N
- Formula
- C13H15BrO4
- SMILES
- CCOC(=O)CCC(=O)OCc1cccc(Br)c1
- Molecular Weight1
- 315.16
- 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° | -292.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 2.836 | Crippen Calculated Property | |
| McVol | 202.650 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | [2024.00; 2024.00] |
|
|
| Inp | 2024.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Tboil | 747.24 | K | Joback Calculated Property |
| Tc | 966.26 | K | Joback Calculated Property |
| Tfus | 479.33 | K | Joback Calculated Property |
| Vc | 0.765 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.38; 585.84] | J/mol×K | [747.24; 966.26] |
|
| Cp,gas | 524.38 | J/mol×K | 747.24 | Joback Calculated Property |
| Cp,gas | 536.84 | J/mol×K | 783.74 | Joback Calculated Property |
| Cp,gas | 548.40 | J/mol×K | 820.25 | Joback Calculated Property |
| Cp,gas | 559.06 | J/mol×K | 856.75 | Joback Calculated Property |
| Cp,gas | 568.84 | J/mol×K | 893.25 | Joback Calculated Property |
| Cp,gas | 577.76 | J/mol×K | 929.75 | Joback Calculated Property |
| Cp,gas | 585.84 | J/mol×K | 966.26 | Joback Calculated Property |
| η | [0.0001161; 0.0007747] | Pa×s | [479.33; 747.24] |
|
| η | 0.0007747 | Pa×s | 479.33 | Joback Calculated Property |
| η | 0.0004934 | Pa×s | 523.98 | Joback Calculated Property |
| η | 0.0003373 | Pa×s | 568.63 | Joback Calculated Property |
| η | 0.0002437 | Pa×s | 613.29 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 657.94 | Joback Calculated Property |
| η | 0.0001440 | Pa×s | 702.59 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 747.24 | Joback Calculated Property |
Similar Compounds
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Sources
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