- InChI
- InChI=1S/C16H15BrO2/c1-2-7-12-8-3-6-11-15(12)19-16(18)13-9-4-5-10-14(13)17/h3-6,8-11H,2,7H2,1H3
- InChI Key
- WEVCSWPQSUXKDV-UHFFFAOYSA-N
- Formula
- C16H15BrO2
- SMILES
- CCCc1ccccc1OC(=O)c1ccccc1Br
- Molecular Weight1
- 319.19
- 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° | 69.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.68 | kJ/mol | Joback Calculated Property |
| log10WS | -5.94 | Crippen Calculated Property | |
| logPoct/wat | 4.621 | Crippen Calculated Property | |
| McVol | 213.720 | ml/mol | McGowan Calculated Property |
| Pc | 2482.59 | kPa | Joback Calculated Property |
| Inp | [2199.00; 2199.00] |
|
|
| Inp | 2199.00 | NIST | |
| Inp | 2199.00 | NIST | |
| Tboil | 771.25 | K | Joback Calculated Property |
| Tc | 1015.67 | K | Joback Calculated Property |
| Tfus | 479.92 | K | Joback Calculated Property |
| Vc | 0.801 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.92; 621.51] | J/mol×K | [771.25; 1015.67] |
|
| Cp,gas | 553.92 | J/mol×K | 771.25 | Joback Calculated Property |
| Cp,gas | 567.88 | J/mol×K | 811.99 | Joback Calculated Property |
| Cp,gas | 580.69 | J/mol×K | 852.72 | Joback Calculated Property |
| Cp,gas | 592.39 | J/mol×K | 893.46 | Joback Calculated Property |
| Cp,gas | 603.05 | J/mol×K | 934.20 | Joback Calculated Property |
| Cp,gas | 612.74 | J/mol×K | 974.93 | Joback Calculated Property |
| Cp,gas | 621.51 | J/mol×K | 1015.67 | Joback Calculated Property |
| η | [0.0001074; 0.0007298] | Pa×s | [479.92; 771.25] |
|
| η | 0.0007298 | Pa×s | 479.92 | Joback Calculated Property |
| η | 0.0004579 | Pa×s | 528.48 | Joback Calculated Property |
| η | 0.0003108 | Pa×s | 577.03 | Joback Calculated Property |
| η | 0.0002240 | Pa×s | 625.59 | Joback Calculated Property |
| η | 0.0001693 | Pa×s | 674.14 | Joback Calculated Property |
| η | 0.0001328 | Pa×s | 722.69 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 771.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzoic acid, 2-propylphenyl ester.
Sources
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