- InChI
- InChI=1S/C22H25BrO5/c1-2-3-4-7-14-27-21(24)19-8-5-6-9-20(19)22(25)28-16-15-26-18-12-10-17(23)11-13-18/h5-6,8-13H,2-4,7,14-16H2,1H3
- InChI Key
- DBKWDKWQERSXNJ-UHFFFAOYSA-N
- Formula
- C22H25BrO5
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCCOc
1ccc(Br)cc1 - Molecular Weight1
- 449.33
- 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° | -218.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.60 | kJ/mol | Joback Calculated Property |
| log10WS | -6.98 | Crippen Calculated Property | |
| logPoct/wat | 5.422 | Crippen Calculated Property | |
| McVol | 311.570 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | [3032.00; 3032.00] |
|
|
| Inp | 3032.00 | NIST | |
| Inp | 3032.00 | NIST | |
| Tboil | 1007.24 | K | Joback Calculated Property |
| Tc | 1241.38 | K | Joback Calculated Property |
| Tfus | 641.93 | K | Joback Calculated Property |
| Vc | 1.179 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.06; 1002.68] | J/mol×K | [1007.24; 1241.38] |
|
| Cp,gas | 956.06 | J/mol×K | 1007.24 | Joback Calculated Property |
| Cp,gas | 967.35 | J/mol×K | 1046.26 | Joback Calculated Property |
| Cp,gas | 977.18 | J/mol×K | 1085.29 | Joback Calculated Property |
| Cp,gas | 985.59 | J/mol×K | 1124.31 | Joback Calculated Property |
| Cp,gas | 992.62 | J/mol×K | 1163.33 | Joback Calculated Property |
| Cp,gas | 998.31 | J/mol×K | 1202.35 | Joback Calculated Property |
| Cp,gas | 1002.68 | J/mol×K | 1241.38 | Joback Calculated Property |
| η | [0.0000248; 0.0001780] | Pa×s | [641.93; 1007.24] |
|
| η | 0.0001780 | Pa×s | 641.93 | Joback Calculated Property |
| η | 0.0001111 | Pa×s | 702.82 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 763.70 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 824.59 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 885.47 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 946.36 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 1007.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-bromophenoxy)ethyl hexyl ester.
Sources
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