- InChI
- InChI=1S/C18H17BrO4/c1-2-3-11-22-17(20)13-5-4-6-14(12-13)18(21)23-16-9-7-15(19)8-10-16/h4-10,12H,2-3,11H2,1H3
- InChI Key
- WFVLQKJRYBPAAQ-UHFFFAOYSA-N
- Formula
- C18H17BrO4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2ccc(B
r)cc2)c1 - Molecular Weight1
- 377.23
- 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° | -147.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.28 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 4.625 | Crippen Calculated Property | |
| McVol | 249.340 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Inp | [2800.00; 2800.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Tboil | 893.30 | K | Joback Calculated Property |
| Tc | 1131.83 | K | Joback Calculated Property |
| Tfus | 574.62 | K | Joback Calculated Property |
| Vc | 0.938 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.78; 753.62] | J/mol×K | [893.30; 1131.83] |
|
| Cp,gas | 699.78 | J/mol×K | 893.30 | Joback Calculated Property |
| Cp,gas | 711.67 | J/mol×K | 933.06 | Joback Calculated Property |
| Cp,gas | 722.33 | J/mol×K | 972.81 | Joback Calculated Property |
| Cp,gas | 731.82 | J/mol×K | 1012.57 | Joback Calculated Property |
| Cp,gas | 740.17 | J/mol×K | 1052.32 | Joback Calculated Property |
| Cp,gas | 747.42 | J/mol×K | 1092.08 | Joback Calculated Property |
| Cp,gas | 753.62 | J/mol×K | 1131.83 | Joback Calculated Property |
| η | [0.0000604; 0.0003867] | Pa×s | [574.62; 893.30] |
|
| η | 0.0003867 | Pa×s | 574.62 | Joback Calculated Property |
| η | 0.0002489 | Pa×s | 627.73 | Joback Calculated Property |
| η | 0.0001716 | Pa×s | 680.85 | Joback Calculated Property |
| η | 0.0001249 | Pa×s | 733.96 | Joback Calculated Property |
| η | 0.0000949 | Pa×s | 787.07 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 840.19 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 893.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-bromophenyl butyl ester.
Sources
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