- InChI
- InChI=1S/C23H27BrO5/c1-3-4-5-6-9-14-28-22(25)19-10-7-8-11-20(19)23(26)29-16-17-15-18(24)12-13-21(17)27-2/h7-8,10-13,15H,3-6,9,14,16H2,1-2H3
- InChI Key
- UKBJSLYDLFRGAF-UHFFFAOYSA-N
- Formula
- C23H27BrO5
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCc1
cc(Br)ccc1OC - Molecular Weight1
- 463.36
- 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° | -219.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.49 | kJ/mol | Joback Calculated Property |
| log10WS | -7.86 | Crippen Calculated Property | |
| logPoct/wat | 5.942 | Crippen Calculated Property | |
| McVol | 325.660 | ml/mol | McGowan Calculated Property |
| Pc | 1408.01 | kPa | Joback Calculated Property |
| Inp | [3095.00; 3095.00] |
|
|
| Inp | 3095.00 | NIST | |
| Inp | 3095.00 | NIST | |
| Tboil | 1035.10 | K | Joback Calculated Property |
| Tc | 1271.69 | K | Joback Calculated Property |
| Tfus | 665.72 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.55; 1057.47] | J/mol×K | [1035.10; 1271.69] |
|
| Cp,gas | 1013.55 | J/mol×K | 1035.10 | Joback Calculated Property |
| Cp,gas | 1024.63 | J/mol×K | 1074.53 | Joback Calculated Property |
| Cp,gas | 1034.17 | J/mol×K | 1113.96 | Joback Calculated Property |
| Cp,gas | 1042.19 | J/mol×K | 1153.40 | Joback Calculated Property |
| Cp,gas | 1048.72 | J/mol×K | 1192.83 | Joback Calculated Property |
| Cp,gas | 1053.80 | J/mol×K | 1232.26 | Joback Calculated Property |
| Cp,gas | 1057.47 | J/mol×K | 1271.69 | Joback Calculated Property |
| η | [0.0000218; 0.0001451] | Pa×s | [665.72; 1035.10] |
|
| η | 0.0001451 | Pa×s | 665.72 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 727.28 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 788.85 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 850.41 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 911.97 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 973.54 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 1035.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl heptyl ester.
Sources
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