- InChI
- InChI=1S/C28H37BrO5/c1-3-4-5-6-7-8-9-10-11-14-19-33-27(30)24-15-12-13-16-25(24)28(31)34-21-22-20-23(29)17-18-26(22)32-2/h12-13,15-18,20H,3-11,14,19,21H2,1-2H3
- InChI Key
- POEKKWAXDORGRL-UHFFFAOYSA-N
- Formula
- C28H37BrO5
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCc1cc(Br)ccc1OC - Molecular Weight1
- 533.49
- 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° | -177.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.62 | kJ/mol | Joback Calculated Property |
| log10WS | -9.95 | Crippen Calculated Property | |
| logPoct/wat | 7.892 | Crippen Calculated Property | |
| McVol | 396.110 | ml/mol | McGowan Calculated Property |
| Pc | 1011.02 | kPa | Joback Calculated Property |
| Inp | [3600.00; 3600.00] |
|
|
| Inp | 3600.00 | NIST | |
| Inp | 3600.00 | NIST | |
| Tboil | 1149.50 | K | Joback Calculated Property |
| Tc | 1410.23 | K | Joback Calculated Property |
| Tfus | 722.07 | K | Joback Calculated Property |
| Vc | 1.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1313.89; 1350.87] | J/mol×K | [1149.50; 1410.23] |
|
| Cp,gas | 1313.89 | J/mol×K | 1149.50 | Joback Calculated Property |
| Cp,gas | 1324.77 | J/mol×K | 1192.95 | Joback Calculated Property |
| Cp,gas | 1333.66 | J/mol×K | 1236.41 | Joback Calculated Property |
| Cp,gas | 1340.64 | J/mol×K | 1279.86 | Joback Calculated Property |
| Cp,gas | 1345.79 | J/mol×K | 1323.32 | Joback Calculated Property |
| Cp,gas | 1349.17 | J/mol×K | 1366.77 | Joback Calculated Property |
| Cp,gas | 1350.87 | J/mol×K | 1410.23 | Joback Calculated Property |
| η | [0.0000100; 0.0000784] | Pa×s | [722.07; 1149.50] |
|
| η | 0.0000784 | Pa×s | 722.07 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 793.31 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 864.55 | Joback Calculated Property |
| η | 0.0000221 | Pa×s | 935.79 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 1007.02 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 1078.26 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 1149.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl dodecyl ester.
Sources
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