- InChI
- InChI=1S/C28H37BrO4/c1-2-3-4-5-6-7-8-9-10-13-20-32-27(30)25-17-11-12-18-26(25)28(31)33-21-19-23-15-14-16-24(29)22-23/h11-12,14-18,22H,2-10,13,19-21H2,1H3
- InChI Key
- CREXTQDOYKVFSI-UHFFFAOYSA-N
- Formula
- C28H37BrO4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCCc1cccc(Br)c1 - Molecular Weight1
- 517.50
- 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° | -63.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.55 | kJ/mol | Joback Calculated Property |
| log10WS | -9.76 | Crippen Calculated Property | |
| logPoct/wat | 7.926 | Crippen Calculated Property | |
| McVol | 390.240 | ml/mol | McGowan Calculated Property |
| Pc | 1031.91 | kPa | Joback Calculated Property |
| Inp | 3585.00 | NIST | |
| Tboil | 1122.10 | K | Joback Calculated Property |
| Tc | 1374.66 | K | Joback Calculated Property |
| Tfus | 687.32 | K | Joback Calculated Property |
| Vc | 1.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1292.28; 1349.04] | J/mol×K | [1122.10; 1374.66] | 
|
| Cp,gas | 1292.28 | J/mol×K | 1122.10 | Joback Calculated Property |
| Cp,gas | 1305.27 | J/mol×K | 1164.19 | Joback Calculated Property |
| Cp,gas | 1316.72 | J/mol×K | 1206.29 | Joback Calculated Property |
| Cp,gas | 1326.71 | J/mol×K | 1248.38 | Joback Calculated Property |
| Cp,gas | 1335.37 | J/mol×K | 1290.47 | Joback Calculated Property |
| Cp,gas | 1342.77 | J/mol×K | 1332.56 | Joback Calculated Property |
| Cp,gas | 1349.04 | J/mol×K | 1374.66 | Joback Calculated Property |
| η | [0.0000132; 0.0001215] | Pa×s | [687.32; 1122.10] |
|
| η | 0.0001215 | Pa×s | 687.32 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 759.78 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 832.25 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 904.71 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 977.17 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 1049.64 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 1122.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(3-bromophenyl)ethyl dodecyl ester.
Sources
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