- InChI
- InChI=1S/C20H21BrO5/c1-2-3-12-25-19(22)17-6-4-5-7-18(17)20(23)26-14-13-24-16-10-8-15(21)9-11-16/h4-11H,2-3,12-14H2,1H3
- InChI Key
- YULIMMDZAKYTNL-UHFFFAOYSA-N
- Formula
- C20H21BrO5
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCCOc1c
cc(Br)cc1 - Molecular Weight1
- 421.28
- 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° | -235.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.15 | kJ/mol | Joback Calculated Property |
| log10WS | -6.14 | Crippen Calculated Property | |
| logPoct/wat | 4.642 | Crippen Calculated Property | |
| McVol | 283.390 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Inp | [2832.00; 2832.00] |
|
|
| Inp | 2832.00 | NIST | |
| Inp | 2832.00 | NIST | |
| Tboil | 961.48 | K | Joback Calculated Property |
| Tc | 1195.28 | K | Joback Calculated Property |
| Tfus | 619.39 | K | Joback Calculated Property |
| Vc | 1.067 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.49; 886.89] | J/mol×K | [961.48; 1195.28] |
|
| Cp,gas | 839.49 | J/mol×K | 961.48 | Joback Calculated Property |
| Cp,gas | 850.75 | J/mol×K | 1000.45 | Joback Calculated Property |
| Cp,gas | 860.62 | J/mol×K | 1039.41 | Joback Calculated Property |
| Cp,gas | 869.15 | J/mol×K | 1078.38 | Joback Calculated Property |
| Cp,gas | 876.35 | J/mol×K | 1117.35 | Joback Calculated Property |
| Cp,gas | 882.25 | J/mol×K | 1156.31 | Joback Calculated Property |
| Cp,gas | 886.89 | J/mol×K | 1195.28 | Joback Calculated Property |
| η | [0.0000335; 0.0002234] | Pa×s | [619.39; 961.48] |
|
| η | 0.0002234 | Pa×s | 619.39 | Joback Calculated Property |
| η | 0.0001425 | Pa×s | 676.40 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 733.42 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 790.43 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 847.45 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 904.47 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 961.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-bromophenoxy)ethyl butyl ester.
Sources
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