- InChI
- InChI=1S/C26H33BrO4/c1-2-3-4-5-6-7-8-11-18-30-25(28)23-15-9-10-16-24(23)26(29)31-19-17-21-13-12-14-22(27)20-21/h9-10,12-16,20H,2-8,11,17-19H2,1H3
- InChI Key
- XWBNDGAJBJXJHQ-UHFFFAOYSA-N
- Formula
- C26H33BrO4
- SMILES
-
CCCCCCCCCCOC(=O)c1ccccc1C(=O)O
CCc1cccc(Br)c1 - Molecular Weight1
- 489.44
- 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° | -79.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.09 | kJ/mol | Joback Calculated Property |
| log10WS | -8.92 | Crippen Calculated Property | |
| logPoct/wat | 7.146 | Crippen Calculated Property | |
| McVol | 362.060 | ml/mol | McGowan Calculated Property |
| Pc | 1172.03 | kPa | Joback Calculated Property |
| Inp | [3387.00; 3387.00] |
|
|
| Inp | 3387.00 | NIST | |
| Inp | 3387.00 | NIST | |
| Tboil | 1076.34 | K | Joback Calculated Property |
| Tc | 1318.10 | K | Joback Calculated Property |
| Tfus | 664.78 | K | Joback Calculated Property |
| Vc | 1.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1169.95; 1226.26] | J/mol×K | [1076.34; 1318.10] |
|
| Cp,gas | 1169.95 | J/mol×K | 1076.34 | Joback Calculated Property |
| Cp,gas | 1182.65 | J/mol×K | 1116.63 | Joback Calculated Property |
| Cp,gas | 1193.92 | J/mol×K | 1156.93 | Joback Calculated Property |
| Cp,gas | 1203.83 | J/mol×K | 1197.22 | Joback Calculated Property |
| Cp,gas | 1212.47 | J/mol×K | 1237.51 | Joback Calculated Property |
| Cp,gas | 1219.92 | J/mol×K | 1277.80 | Joback Calculated Property |
| Cp,gas | 1226.26 | J/mol×K | 1318.10 | Joback Calculated Property |
| η | [0.0000182; 0.0001565] | Pa×s | [664.78; 1076.34] |
|
| η | 0.0001565 | Pa×s | 664.78 | Joback Calculated Property |
| η | 0.0000924 | Pa×s | 733.37 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 801.97 | Joback Calculated Property |
| η | 0.0000413 | Pa×s | 870.56 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 939.15 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 1007.75 | Joback Calculated Property |
| η | 0.0000182 | Pa×s | 1076.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(3-bromophenyl)ethyl decyl ester.
Sources
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