- InChI
- InChI=1S/C14H11BrO2/c1-10-4-2-7-13(8-10)17-14(16)11-5-3-6-12(15)9-11/h2-9H,1H3
- InChI Key
- NMQQMNGWYHVNLO-UHFFFAOYSA-N
- Formula
- C14H11BrO2
- SMILES
- Cc1cccc(OC(=O)c2cccc(Br)c2)c1
- Molecular Weight1
- 291.14
- 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° | 52.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 3.977 | Crippen Calculated Property | |
| McVol | 185.540 | ml/mol | McGowan Calculated Property |
| Pc | 3035.62 | kPa | Joback Calculated Property |
| Inp | [2008.00; 2008.00] |
|
|
| Inp | 2008.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Tboil | 725.49 | K | Joback Calculated Property |
| Tc | 980.66 | K | Joback Calculated Property |
| Tfus | 457.38 | K | Joback Calculated Property |
| Vc | 0.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.93; 511.71] | J/mol×K | [725.49; 980.66] |
|
| Cp,gas | 448.93 | J/mol×K | 725.49 | Joback Calculated Property |
| Cp,gas | 462.05 | J/mol×K | 768.02 | Joback Calculated Property |
| Cp,gas | 474.03 | J/mol×K | 810.55 | Joback Calculated Property |
| Cp,gas | 484.93 | J/mol×K | 853.07 | Joback Calculated Property |
| Cp,gas | 494.80 | J/mol×K | 895.60 | Joback Calculated Property |
| Cp,gas | 503.71 | J/mol×K | 938.13 | Joback Calculated Property |
| Cp,gas | 511.71 | J/mol×K | 980.66 | Joback Calculated Property |
| η | [0.0001373; 0.0008431] | Pa×s | [457.38; 725.49] |
|
| η | 0.0008431 | Pa×s | 457.38 | Joback Calculated Property |
| η | 0.0005446 | Pa×s | 502.06 | Joback Calculated Property |
| η | 0.0003778 | Pa×s | 546.75 | Joback Calculated Property |
| η | 0.0002770 | Pa×s | 591.43 | Joback Calculated Property |
| η | 0.0002121 | Pa×s | 636.12 | Joback Calculated Property |
| η | 0.0001683 | Pa×s | 680.81 | Joback Calculated Property |
| η | 0.0001373 | Pa×s | 725.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromobenzoic acid, 3-methylphenyl ester.
Sources
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