- InChI
- InChI=1S/C15H19BrO4/c1-11(2)9-19-14(17)7-8-15(18)20-10-12-5-3-4-6-13(12)16/h3-6,11H,7-10H2,1-2H3
- InChI Key
- QKIMZZSWFPEZPY-UHFFFAOYSA-N
- Formula
- C15H19BrO4
- SMILES
-
CC(C)COC(=O)CCC(=O)OCc1ccccc1B
r - Molecular Weight1
- 343.21
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7529 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.472 | Crippen Calculated Property | |
| McVol | 230.830 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | [2177.00; 2177.00] |
|
|
| Inp | 2177.00 | NIST | |
| Inp | 2177.00 | NIST | |
| Tboil | 624.34 | K | Relay (1.0) Calculated Property |
| Tc | 812.17 | K | Relay (1.0) Calculated Property |
| Tfus | 306.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.836 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.74; 698.43] | J/mol×K | [792.56; 1009.47] |
|
| Cp,gas | 632.74 | J/mol×K | 792.56 | Joback Calculated Property |
| Cp,gas | 646.15 | J/mol×K | 828.71 | Joback Calculated Property |
| Cp,gas | 658.55 | J/mol×K | 864.86 | Joback Calculated Property |
| Cp,gas | 669.96 | J/mol×K | 901.02 | Joback Calculated Property |
| Cp,gas | 680.39 | J/mol×K | 937.17 | Joback Calculated Property |
| Cp,gas | 689.87 | J/mol×K | 973.32 | Joback Calculated Property |
| Cp,gas | 698.43 | J/mol×K | 1009.47 | Joback Calculated Property |
| η | [0.0000813; 0.0007265] | Pa×s | [486.87; 792.56] |
|
| η | 0.0007265 | Pa×s | 486.87 | Joback Calculated Property |
| η | 0.0004243 | Pa×s | 537.82 | Joback Calculated Property |
| η | 0.0002720 | Pa×s | 588.77 | Joback Calculated Property |
| η | 0.0001871 | Pa×s | 639.71 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 690.66 | Joback Calculated Property |
| η | 0.0001033 | Pa×s | 741.61 | Joback Calculated Property |
| η | 0.0000813 | Pa×s | 792.56 | Joback Calculated Property |
Similar Compounds
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Sources
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