- InChI
- InChI=1S/C29H39BrO5/c1-3-4-5-6-7-8-9-10-11-12-15-20-34-28(31)25-16-13-14-17-26(25)29(32)35-22-23-21-24(30)18-19-27(23)33-2/h13-14,16-19,21H,3-12,15,20,22H2,1-2H3
- InChI Key
- KLGMLNNFHGLAMD-UHFFFAOYSA-N
- Formula
- C29H39BrO5
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCc1cc(Br)ccc1OC - Molecular Weight1
- 547.52
- 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° | -169.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -798.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.84 | kJ/mol | Joback Calculated Property |
| log10WS | -10.37 | Crippen Calculated Property | |
| logPoct/wat | 8.282 | Crippen Calculated Property | |
| McVol | 410.200 | ml/mol | McGowan Calculated Property |
| Pc | 952.01 | kPa | Joback Calculated Property |
| Inp | [3701.00; 3701.00] |
|
|
| Inp | 3701.00 | NIST | |
| Inp | 3701.00 | NIST | |
| Tboil | 1172.38 | K | Joback Calculated Property |
| Tc | 1441.68 | K | Joback Calculated Property |
| Tfus | 733.34 | K | Joback Calculated Property |
| Vc | 1.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1374.74; 1409.72] | J/mol×K | [1172.38; 1441.68] |
|
| Cp,gas | 1374.74 | J/mol×K | 1172.38 | Joback Calculated Property |
| Cp,gas | 1385.57 | J/mol×K | 1217.26 | Joback Calculated Property |
| Cp,gas | 1394.28 | J/mol×K | 1262.15 | Joback Calculated Property |
| Cp,gas | 1400.96 | J/mol×K | 1307.03 | Joback Calculated Property |
| Cp,gas | 1405.71 | J/mol×K | 1351.91 | Joback Calculated Property |
| Cp,gas | 1408.60 | J/mol×K | 1396.79 | Joback Calculated Property |
| Cp,gas | 1409.72 | J/mol×K | 1441.68 | Joback Calculated Property |
| η | [0.0000085; 0.0000688] | Pa×s | [733.34; 1172.38] |
|
| η | 0.0000688 | Pa×s | 733.34 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 806.51 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 879.69 | Joback Calculated Property |
| η | 0.0000190 | Pa×s | 952.86 | Joback Calculated Property |
| η | 0.0000140 | Pa×s | 1026.03 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 1099.21 | Joback Calculated Property |
| η | 0.0000085 | Pa×s | 1172.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl tridecyl ester.
Sources
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