- InChI
- InChI=1S/C16H13BrO4/c1-2-20-15(18)11-4-3-5-12(10-11)16(19)21-14-8-6-13(17)7-9-14/h3-10H,2H2,1H3
- InChI Key
- HNCYHYNDUHJADC-UHFFFAOYSA-N
- Formula
- C16H13BrO4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2ccc(Br)
cc2)c1 - Molecular Weight1
- 349.18
- 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° | -164.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.83 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 3.845 | Crippen Calculated Property | |
| McVol | 221.160 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Inp | [2575.00; 2575.00] |
|
|
| Inp | 2575.00 | NIST | |
| Inp | 2575.00 | NIST | |
| Tboil | 847.54 | K | Joback Calculated Property |
| Tc | 1093.22 | K | Joback Calculated Property |
| Tfus | 552.08 | K | Joback Calculated Property |
| Vc | 0.826 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.98; 640.65] | J/mol×K | [847.54; 1093.22] |
|
| Cp,gas | 588.98 | J/mol×K | 847.54 | Joback Calculated Property |
| Cp,gas | 600.46 | J/mol×K | 888.49 | Joback Calculated Property |
| Cp,gas | 610.74 | J/mol×K | 929.43 | Joback Calculated Property |
| Cp,gas | 619.86 | J/mol×K | 970.38 | Joback Calculated Property |
| Cp,gas | 627.86 | J/mol×K | 1011.32 | Joback Calculated Property |
| Cp,gas | 634.78 | J/mol×K | 1052.27 | Joback Calculated Property |
| Cp,gas | 640.65 | J/mol×K | 1093.22 | Joback Calculated Property |
| η | [0.0000798; 0.0004686] | Pa×s | [552.08; 847.54] |
|
| η | 0.0004686 | Pa×s | 552.08 | Joback Calculated Property |
| η | 0.0003092 | Pa×s | 601.32 | Joback Calculated Property |
| η | 0.0002173 | Pa×s | 650.57 | Joback Calculated Property |
| η | 0.0001605 | Pa×s | 699.81 | Joback Calculated Property |
| η | 0.0001233 | Pa×s | 749.05 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 798.30 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 847.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-bromophenyl ethyl ester.
Sources
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