- InChI
- InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
- InChI Key
- GSMAWUZTAIOCPL-UHFFFAOYSA-N
- Formula
- C8H6Br2O2
- SMILES
- COC(=O)c1cc(Br)cc(Br)c1
- Molecular Weight1
- 293.94
- CAS
- 51329-15-8
- Other Names
-
- Benzoic acid, 3,5-dibromo-, methyl ester
- 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° | -95.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.03 | kJ/mol | Joback Calculated Property |
| log10WS | -4.04 | Crippen Calculated Property | |
| logPoct/wat | 2.998 | Crippen Calculated Property | |
| McVol | 142.260 | ml/mol | McGowan Calculated Property |
| Pc | 4438.52 | kPa | Joback Calculated Property |
| Inp | 1614.00 | NIST | |
| Tboil | 627.69 | K | Joback Calculated Property |
| Tc | 878.22 | K | Joback Calculated Property |
| Tfus | 423.14 | K | Joback Calculated Property |
| Vc | 0.523 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.61; 318.89] | J/mol×K | [627.69; 878.22] | 
|
| Cp,gas | 274.61 | J/mol×K | 627.69 | Joback Calculated Property |
| Cp,gas | 283.58 | J/mol×K | 669.45 | Joback Calculated Property |
| Cp,gas | 291.87 | J/mol×K | 711.20 | Joback Calculated Property |
| Cp,gas | 299.53 | J/mol×K | 752.96 | Joback Calculated Property |
| Cp,gas | 306.56 | J/mol×K | 794.71 | Joback Calculated Property |
| Cp,gas | 313.01 | J/mol×K | 836.47 | Joback Calculated Property |
| Cp,gas | 318.89 | J/mol×K | 878.22 | Joback Calculated Property |
| η | [0.0002385; 0.0010566] | Pa×s | [423.14; 627.69] |
|
| η | 0.0010566 | Pa×s | 423.14 | Joback Calculated Property |
| η | 0.0007517 | Pa×s | 457.23 | Joback Calculated Property |
| η | 0.0005606 | Pa×s | 491.32 | Joback Calculated Property |
| η | 0.0004344 | Pa×s | 525.41 | Joback Calculated Property |
| η | 0.0003472 | Pa×s | 559.51 | Joback Calculated Property |
| η | 0.0002847 | Pa×s | 593.60 | Joback Calculated Property |
| η | 0.0002385 | Pa×s | 627.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3,5-dibromobenzoate.
Sources
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