- InChI
- InChI=1S/C22H24BrFO4/c1-2-3-4-5-6-13-27-21(25)16-7-9-17(10-8-16)22(26)28-15-18-14-19(24)11-12-20(18)23/h7-12,14H,2-6,13,15H2,1H3
- InChI Key
- JHZQEVRFNZNUNJ-UHFFFAOYSA-N
- Formula
- C22H24BrFO4
- SMILES
-
CCCCCCCOC(=O)c1ccc(C(=O)OCc2cc
(F)ccc2Br)cc1 - Molecular Weight1
- 451.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -318.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.03 | kJ/mol | Joback Calculated Property |
| log10WS | -8.07 | Crippen Calculated Property | |
| logPoct/wat | 6.072 | Crippen Calculated Property | |
| McVol | 307.470 | ml/mol | McGowan Calculated Property |
| Pc | 1482.71 | kPa | Joback Calculated Property |
| Inp | 3205.00 | NIST | |
| Tboil | 989.07 | K | Joback Calculated Property |
| Tc | 1218.90 | K | Joback Calculated Property |
| Tfus | 632.81 | K | Joback Calculated Property |
| Vc | 1.179 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [935.82; 988.71] | J/mol×K | [989.07; 1218.90] | 
|
| Cp,gas | 935.82 | J/mol×K | 989.07 | Joback Calculated Property |
| Cp,gas | 947.67 | J/mol×K | 1027.37 | Joback Calculated Property |
| Cp,gas | 958.24 | J/mol×K | 1065.68 | Joback Calculated Property |
| Cp,gas | 967.58 | J/mol×K | 1103.98 | Joback Calculated Property |
| Cp,gas | 975.75 | J/mol×K | 1142.29 | Joback Calculated Property |
| Cp,gas | 982.77 | J/mol×K | 1180.59 | Joback Calculated Property |
| Cp,gas | 988.71 | J/mol×K | 1218.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-bromo-5-fluorobenzyl heptyl ester.
Sources
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