- InChI
- InChI=1S/C14H17BrO4/c1-2-18-13(16)4-3-5-14(17)19-10-11-6-8-12(15)9-7-11/h6-9H,2-5,10H2,1H3
- InChI Key
- SQIUDXQVGUAUDS-UHFFFAOYSA-N
- Formula
- C14H17BrO4
- SMILES
- CCOC(=O)CCCC(=O)OCc1ccc(Br)cc1
- Molecular Weight1
- 329.19
- 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 | 0.7567 | Relay (1.0) Calculated Property | |
| ΔfG° | -283.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.226 | Crippen Calculated Property | |
| McVol | 216.740 | ml/mol | McGowan Calculated Property |
| Pc | 2300.32 | kPa | Joback Calculated Property |
| Inp | [2350.00; 2350.00] |
|
|
| Inp | 2350.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Tboil | 625.15 | K | Relay (1.0) Calculated Property |
| Tc | 811.32 | K | Relay (1.0) Calculated Property |
| Tfus | 299.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.72; 641.19] | J/mol×K | [770.12; 986.25] |
|
| Cp,gas | 577.72 | J/mol×K | 770.12 | Joback Calculated Property |
| Cp,gas | 590.59 | J/mol×K | 806.14 | Joback Calculated Property |
| Cp,gas | 602.53 | J/mol×K | 842.16 | Joback Calculated Property |
| Cp,gas | 613.53 | J/mol×K | 878.18 | Joback Calculated Property |
| Cp,gas | 623.64 | J/mol×K | 914.21 | Joback Calculated Property |
| Cp,gas | 632.85 | J/mol×K | 950.23 | Joback Calculated Property |
| Cp,gas | 641.19 | J/mol×K | 986.25 | Joback Calculated Property |
| η | [0.0001015; 0.0007115] | Pa×s | [490.60; 770.12] |
|
| η | 0.0007115 | Pa×s | 490.60 | Joback Calculated Property |
| η | 0.0004468 | Pa×s | 537.19 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 583.77 | Joback Calculated Property |
| η | 0.0002166 | Pa×s | 630.36 | Joback Calculated Property |
| η | 0.0001625 | Pa×s | 676.95 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 723.53 | Joback Calculated Property |
| η | 0.0001015 | Pa×s | 770.12 | Joback Calculated Property |
Similar Compounds
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Sources
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