- InChI
- InChI=1S/C24H29BrO4/c1-2-3-4-5-6-9-16-28-23(26)21-13-7-8-14-22(21)24(27)29-17-15-19-11-10-12-20(25)18-19/h7-8,10-14,18H,2-6,9,15-17H2,1H3
- InChI Key
- YMIPCQXHDQHUCX-UHFFFAOYSA-N
- Formula
- C24H29BrO4
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCC
c1cccc(Br)c1 - Molecular Weight1
- 461.39
- 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° | -96.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.64 | kJ/mol | Joback Calculated Property |
| log10WS | -8.08 | Crippen Calculated Property | |
| logPoct/wat | 6.366 | Crippen Calculated Property | |
| McVol | 333.880 | ml/mol | McGowan Calculated Property |
| Pc | 1342.74 | kPa | Joback Calculated Property |
| Inp | [3186.00; 3186.00] |
|
|
| Inp | 3186.00 | NIST | |
| Inp | 3186.00 | NIST | |
| Tboil | 1030.58 | K | Joback Calculated Property |
| Tc | 1266.01 | K | Joback Calculated Property |
| Tfus | 642.24 | K | Joback Calculated Property |
| Vc | 1.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1049.20; 1105.23] | J/mol×K | [1030.58; 1266.01] |
|
| Cp,gas | 1049.20 | J/mol×K | 1030.58 | Joback Calculated Property |
| Cp,gas | 1061.69 | J/mol×K | 1069.82 | Joback Calculated Property |
| Cp,gas | 1072.83 | J/mol×K | 1109.06 | Joback Calculated Property |
| Cp,gas | 1082.69 | J/mol×K | 1148.29 | Joback Calculated Property |
| Cp,gas | 1091.33 | J/mol×K | 1187.53 | Joback Calculated Property |
| Cp,gas | 1098.82 | J/mol×K | 1226.77 | Joback Calculated Property |
| Cp,gas | 1105.23 | J/mol×K | 1266.01 | Joback Calculated Property |
| η | [0.0000248; 0.0001996] | Pa×s | [642.24; 1030.58] |
|
| η | 0.0001996 | Pa×s | 642.24 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 706.96 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 771.69 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 836.41 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 901.13 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 965.86 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 1030.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(3-bromophenyl)ethyl octyl ester.
Sources
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