- InChI
- InChI=1S/C13H17BrO2/c1-3-6-10(2)9-16-13(15)11-7-4-5-8-12(11)14/h4-5,7-8,10H,3,6,9H2,1-2H3
- InChI Key
- SYZFLJCRIOWUOH-UHFFFAOYSA-N
- Formula
- C13H17BrO2
- SMILES
- CCCC(C)COC(=O)c1ccccc1Br
- Molecular Weight1
- 285.18
- 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° | -60.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 4.042 | Crippen Calculated Property | |
| McVol | 195.210 | ml/mol | McGowan Calculated Property |
| Pc | 2433.84 | kPa | Joback Calculated Property |
| Inp | [1832.00; 1832.00] |
|
|
| Inp | 1832.00 | NIST | |
| Inp | 1832.00 | NIST | |
| Tboil | 670.51 | K | Joback Calculated Property |
| Tc | 889.92 | K | Joback Calculated Property |
| Tfus | 392.17 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.07; 559.26] | J/mol×K | [670.51; 889.92] |
|
| Cp,gas | 485.07 | J/mol×K | 670.51 | Joback Calculated Property |
| Cp,gas | 499.67 | J/mol×K | 707.08 | Joback Calculated Property |
| Cp,gas | 513.33 | J/mol×K | 743.65 | Joback Calculated Property |
| Cp,gas | 526.09 | J/mol×K | 780.21 | Joback Calculated Property |
| Cp,gas | 537.97 | J/mol×K | 816.78 | Joback Calculated Property |
| Cp,gas | 549.02 | J/mol×K | 853.35 | Joback Calculated Property |
| Cp,gas | 559.26 | J/mol×K | 889.92 | Joback Calculated Property |
| η | [0.0001416; 0.0014652] | Pa×s | [392.17; 670.51] |
|
| η | 0.0014652 | Pa×s | 392.17 | Joback Calculated Property |
| η | 0.0008078 | Pa×s | 438.56 | Joback Calculated Property |
| η | 0.0004991 | Pa×s | 484.95 | Joback Calculated Property |
| η | 0.0003354 | Pa×s | 531.34 | Joback Calculated Property |
| η | 0.0002403 | Pa×s | 577.73 | Joback Calculated Property |
| η | 0.0001809 | Pa×s | 624.12 | Joback Calculated Property |
| η | 0.0001416 | Pa×s | 670.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromobenzoic acid, 2-methylpentyl ester.
Sources
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