- InChI
- InChI=1S/C20H21BrO4/c1-14(2)5-4-12-24-19(22)15-6-3-7-16(13-15)20(23)25-18-10-8-17(21)9-11-18/h3,6-11,13-14H,4-5,12H2,1-2H3
- InChI Key
- LKZZXQMLYABCDB-UHFFFAOYSA-N
- Formula
- C20H21BrO4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c
cc(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° | -132.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.82 | Crippen Calculated Property | |
| logPoct/wat | 5.261 | Crippen Calculated Property | |
| McVol | 277.520 | ml/mol | McGowan Calculated Property |
| Pc | 1830.98 | kPa | Joback Calculated Property |
| Inp | [2977.00; 2977.00] |
|
|
| Inp | 2977.00 | NIST | |
| Inp | 2977.00 | NIST | |
| Tboil | 938.62 | K | Joback Calculated Property |
| Tc | 1175.56 | K | Joback Calculated Property |
| Tfus | 582.16 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [814.22; 869.16] | J/mol×K | [938.62; 1175.56] |
|
| Cp,gas | 814.22 | J/mol×K | 938.62 | Joback Calculated Property |
| Cp,gas | 826.45 | J/mol×K | 978.11 | Joback Calculated Property |
| Cp,gas | 837.38 | J/mol×K | 1017.60 | Joback Calculated Property |
| Cp,gas | 847.07 | J/mol×K | 1057.09 | Joback Calculated Property |
| Cp,gas | 855.56 | J/mol×K | 1096.58 | Joback Calculated Property |
| Cp,gas | 862.91 | J/mol×K | 1136.07 | Joback Calculated Property |
| Cp,gas | 869.16 | J/mol×K | 1175.56 | Joback Calculated Property |
| η | [0.0000412; 0.0003364] | Pa×s | [582.16; 938.62] |
|
| η | 0.0003364 | Pa×s | 582.16 | Joback Calculated Property |
| η | 0.0002017 | Pa×s | 641.57 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 700.98 | Joback Calculated Property |
| η | 0.0000921 | Pa×s | 760.39 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 819.80 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 879.21 | Joback Calculated Property |
| η | 0.0000412 | Pa×s | 938.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-bromophenyl isohexyl ester.
Sources
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