- InChI
- InChI=1S/C15H13BrO2/c1-10-6-11(2)8-14(7-10)18-15(17)12-4-3-5-13(16)9-12/h3-9H,1-2H3
- InChI Key
- DBDKZGDUFHPWSD-UHFFFAOYSA-N
- Formula
- C15H13BrO2
- SMILES
-
Cc1cc(C)cc(OC(=O)c2cccc(Br)c2)
c1 - Molecular Weight1
- 305.17
- 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 | 0.6723 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.285 | Crippen Calculated Property | |
| McVol | 199.630 | ml/mol | McGowan Calculated Property |
| Pc | 2695.80 | kPa | Joback Calculated Property |
| Inp | 2115.00 | NIST | |
| Tboil | 624.82 | K | Relay (1.0) Calculated Property |
| Tc | 888.52 | K | Relay (1.0) Calculated Property |
| Tfus | 344.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.716 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.42; 564.30] | J/mol×K | [753.35; 1003.66] | 
|
| Cp,gas | 499.42 | J/mol×K | 753.35 | Joback Calculated Property |
| Cp,gas | 512.89 | J/mol×K | 795.07 | Joback Calculated Property |
| Cp,gas | 525.22 | J/mol×K | 836.79 | Joback Calculated Property |
| Cp,gas | 536.49 | J/mol×K | 878.50 | Joback Calculated Property |
| Cp,gas | 546.72 | J/mol×K | 920.22 | Joback Calculated Property |
| Cp,gas | 555.98 | J/mol×K | 961.94 | Joback Calculated Property |
| Cp,gas | 564.30 | J/mol×K | 1003.66 | Joback Calculated Property |
| η | [0.0001223; 0.0006823] | Pa×s | [481.17; 753.35] |
|
| η | 0.0006823 | Pa×s | 481.17 | Joback Calculated Property |
| η | 0.0004529 | Pa×s | 526.53 | Joback Calculated Property |
| η | 0.0003208 | Pa×s | 571.90 | Joback Calculated Property |
| η | 0.0002390 | Pa×s | 617.26 | Joback Calculated Property |
| η | 0.0001854 | Pa×s | 662.62 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 707.99 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 753.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromobenzoic acid, 3,5-dimethylphenyl ester.
Sources
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