- InChI
- InChI=1S/C10H9BrO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3
- InChI Key
- VUMPFOPENBVFOF-UHFFFAOYSA-N
- Formula
- C10H9BrO4
- SMILES
- COC(=O)c1ccc(C(=O)OC)c(Br)c1
- Molecular Weight1
- 273.08
- CAS
- 18643-86-2
- Other Names
-
- Dimethyl 2-bromoterephthalate
- 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).
- 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 | 0.6511 | Relay (1.0) Calculated Property | |
| ΔfG° | -327.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.022 | Crippen Calculated Property | |
| McVol | 160.380 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Tboil | 580.19 | K | Relay (1.0) Calculated Property |
| Tc | 788.59 | K | Relay (1.0) Calculated Property |
| Tfus | 345.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.20; 422.41] | J/mol×K | [683.58; 914.90] | 
|
| Cp,gas | 370.20 | J/mol×K | 683.58 | Joback Calculated Property |
| Cp,gas | 380.78 | J/mol×K | 722.13 | Joback Calculated Property |
| Cp,gas | 390.61 | J/mol×K | 760.69 | Joback Calculated Property |
| Cp,gas | 399.69 | J/mol×K | 799.24 | Joback Calculated Property |
| Cp,gas | 408.03 | J/mol×K | 837.79 | Joback Calculated Property |
| Cp,gas | 415.60 | J/mol×K | 876.35 | Joback Calculated Property |
| Cp,gas | 422.41 | J/mol×K | 914.90 | Joback Calculated Property |
| η | [0.0001690; 0.0008269] | Pa×s | [458.04; 683.58] |
|
| η | 0.0008269 | Pa×s | 458.04 | Joback Calculated Property |
| η | 0.0005740 | Pa×s | 495.63 | Joback Calculated Property |
| η | 0.0004196 | Pa×s | 533.22 | Joback Calculated Property |
| η | 0.0003196 | Pa×s | 570.81 | Joback Calculated Property |
| η | 0.0002517 | Pa×s | 608.40 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 645.99 | Joback Calculated Property |
| η | 0.0001690 | Pa×s | 683.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester.
Sources
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