- InChI
- InChI=1S/C19H19BrO4/c1-13(2)11-23-18(21)15-6-8-16(9-7-15)19(22)24-12-14-4-3-5-17(20)10-14/h3-10,13H,11-12H2,1-2H3
- InChI Key
- NLWDLKAJVBHMOC-UHFFFAOYSA-N
- Formula
- C19H19BrO4
- SMILES
-
CC(C)COC(=O)c1ccc(C(=O)OCc2ccc
c(Br)c2)cc1 - Molecular Weight1
- 391.26
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8456 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.619 | Crippen Calculated Property | |
| McVol | 263.430 | ml/mol | McGowan Calculated Property |
| Pc | 1991.21 | kPa | Joback Calculated Property |
| Inp | [3168.00; 3168.00] |
|
|
| Inp | 3168.00 | NIST | |
| Inp | 3168.00 | NIST | |
| Tboil | 673.22 | K | Relay (1.0) Calculated Property |
| Tc | 913.65 | K | Relay (1.0) Calculated Property |
| Tfus | 324.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.945 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.92; 811.44] | J/mol×K | [915.74; 1154.83] |
|
| Cp,gas | 756.92 | J/mol×K | 915.74 | Joback Calculated Property |
| Cp,gas | 769.05 | J/mol×K | 955.59 | Joback Calculated Property |
| Cp,gas | 779.91 | J/mol×K | 995.44 | Joback Calculated Property |
| Cp,gas | 789.53 | J/mol×K | 1035.28 | Joback Calculated Property |
| Cp,gas | 797.96 | J/mol×K | 1075.13 | Joback Calculated Property |
| Cp,gas | 805.25 | J/mol×K | 1114.98 | Joback Calculated Property |
| Cp,gas | 811.44 | J/mol×K | 1154.83 | Joback Calculated Property |
| η | [0.0000478; 0.0003747] | Pa×s | [570.89; 915.74] |
|
| η | 0.0003747 | Pa×s | 570.89 | Joback Calculated Property |
| η | 0.0002272 | Pa×s | 628.37 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 685.84 | Joback Calculated Property |
| η | 0.0001053 | Pa×s | 743.32 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 800.79 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 858.26 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 915.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 3-bromobenzyl isobutyl ester.
Sources
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