- InChI
- InChI=1S/C20H21BrO4/c1-2-3-4-5-13-24-19(22)15-7-6-8-16(14-15)20(23)25-18-11-9-17(21)10-12-18/h6-12,14H,2-5,13H2,1H3
- InChI Key
- BYIPAQCPFULTSQ-UHFFFAOYSA-N
- Formula
- C20H21BrO4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
(Br)cc2)c1 - Molecular Weight1
- 405.28
- 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° | -130.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.74 | kJ/mol | Joback Calculated Property |
| log10WS | -7.06 | Crippen Calculated Property | |
| logPoct/wat | 5.405 | Crippen Calculated Property | |
| McVol | 277.520 | ml/mol | McGowan Calculated Property |
| Pc | 1818.50 | kPa | Joback Calculated Property |
| Inp | [3031.00; 3031.00] |
|
|
| Inp | 3031.00 | NIST | |
| Inp | 3031.00 | NIST | |
| Tboil | 939.06 | K | Joback Calculated Property |
| Tc | 1173.28 | K | Joback Calculated Property |
| Tfus | 597.16 | K | Joback Calculated Property |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.72; 868.78] | J/mol×K | [939.06; 1173.28] |
|
| Cp,gas | 813.72 | J/mol×K | 939.06 | Joback Calculated Property |
| Cp,gas | 825.86 | J/mol×K | 978.10 | Joback Calculated Property |
| Cp,gas | 836.75 | J/mol×K | 1017.13 | Joback Calculated Property |
| Cp,gas | 846.44 | J/mol×K | 1056.17 | Joback Calculated Property |
| Cp,gas | 854.98 | J/mol×K | 1095.21 | Joback Calculated Property |
| Cp,gas | 862.41 | J/mol×K | 1134.24 | Joback Calculated Property |
| Cp,gas | 868.78 | J/mol×K | 1173.28 | Joback Calculated Property |
| η | [0.0000452; 0.0003142] | Pa×s | [597.16; 939.06] |
|
| η | 0.0003142 | Pa×s | 597.16 | Joback Calculated Property |
| η | 0.0001976 | Pa×s | 654.14 | Joback Calculated Property |
| η | 0.0001339 | Pa×s | 711.13 | Joback Calculated Property |
| η | 0.0000961 | Pa×s | 768.11 | Joback Calculated Property |
| η | 0.0000722 | Pa×s | 825.09 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 882.08 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 939.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-bromophenyl hexyl ester.
Sources
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