- InChI
- InChI=1S/C29H39BrO4/c1-2-3-4-5-6-7-8-9-10-11-14-22-33-28(31)26-15-12-13-16-27(26)29(32)34-23-21-24-17-19-25(30)20-18-24/h12-13,15-20H,2-11,14,21-23H2,1H3
- InChI Key
- YERGUNUHRSBGPM-UHFFFAOYSA-N
- Formula
- C29H39BrO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCCc1ccc(Br)cc1 - Molecular Weight1
- 531.52
- 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° | -54.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.77 | kJ/mol | Joback Calculated Property |
| log10WS | -10.18 | Crippen Calculated Property | |
| logPoct/wat | 8.316 | Crippen Calculated Property | |
| McVol | 404.330 | ml/mol | McGowan Calculated Property |
| Pc | 971.09 | kPa | Joback Calculated Property |
| Inp | [3705.00; 3705.00] |
|
|
| Inp | 3705.00 | NIST | |
| Inp | 3705.00 | NIST | |
| Tboil | 1144.98 | K | Joback Calculated Property |
| Tc | 1404.80 | K | Joback Calculated Property |
| Tfus | 698.59 | K | Joback Calculated Property |
| Vc | 1.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1353.95; 1411.07] | J/mol×K | [1144.98; 1404.80] |
|
| Cp,gas | 1353.95 | J/mol×K | 1144.98 | Joback Calculated Property |
| Cp,gas | 1367.14 | J/mol×K | 1188.28 | Joback Calculated Property |
| Cp,gas | 1378.70 | J/mol×K | 1231.59 | Joback Calculated Property |
| Cp,gas | 1388.76 | J/mol×K | 1274.89 | Joback Calculated Property |
| Cp,gas | 1397.43 | J/mol×K | 1318.19 | Joback Calculated Property |
| Cp,gas | 1404.82 | J/mol×K | 1361.49 | Joback Calculated Property |
| Cp,gas | 1411.07 | J/mol×K | 1404.80 | Joback Calculated Property |
| η | [0.0000113; 0.0001067] | Pa×s | [698.59; 1144.98] |
|
| η | 0.0001067 | Pa×s | 698.59 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 772.99 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 847.39 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 921.79 | Joback Calculated Property |
| η | 0.0000191 | Pa×s | 996.18 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 1070.58 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 1144.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-bromophenyl)ethyl tridecyl ester.
Sources
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