- InChI
- InChI=1S/C21H23BrO5/c1-2-3-6-13-26-20(23)18-7-4-5-8-19(18)21(24)27-15-14-25-17-11-9-16(22)10-12-17/h4-5,7-12H,2-3,6,13-15H2,1H3
- InChI Key
- AEXVOXYXZQBHIT-UHFFFAOYSA-N
- Formula
- C21H23BrO5
- SMILES
-
CCCCCOC(=O)c1ccccc1C(=O)OCCOc1
ccc(Br)cc1 - Molecular Weight1
- 435.31
- 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° | -227.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.37 | kJ/mol | Joback Calculated Property |
| log10WS | -6.56 | Crippen Calculated Property | |
| logPoct/wat | 5.032 | Crippen Calculated Property | |
| McVol | 297.480 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | [2931.00; 2931.00] |
|
|
| Inp | 2931.00 | NIST | |
| Inp | 2931.00 | NIST | |
| Tboil | 984.36 | K | Joback Calculated Property |
| Tc | 1217.89 | K | Joback Calculated Property |
| Tfus | 630.66 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.51; 944.61] | J/mol×K | [984.36; 1217.89] |
|
| Cp,gas | 897.51 | J/mol×K | 984.36 | Joback Calculated Property |
| Cp,gas | 908.79 | J/mol×K | 1023.28 | Joback Calculated Property |
| Cp,gas | 918.65 | J/mol×K | 1062.20 | Joback Calculated Property |
| Cp,gas | 927.13 | J/mol×K | 1101.13 | Joback Calculated Property |
| Cp,gas | 934.26 | J/mol×K | 1140.05 | Joback Calculated Property |
| Cp,gas | 940.08 | J/mol×K | 1178.97 | Joback Calculated Property |
| Cp,gas | 944.61 | J/mol×K | 1217.89 | Joback Calculated Property |
| η | [0.0000288; 0.0001997] | Pa×s | [630.66; 984.36] |
|
| η | 0.0001997 | Pa×s | 630.66 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 689.61 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 748.56 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 807.51 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 866.46 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 925.41 | Joback Calculated Property |
| η | 0.0000288 | Pa×s | 984.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-bromophenoxy)ethyl pentyl ester.
Sources
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