- InChI
- InChI=1S/C23H27BrO5/c1-2-3-4-5-8-15-28-22(25)20-9-6-7-10-21(20)23(26)29-17-16-27-19-13-11-18(24)12-14-19/h6-7,9-14H,2-5,8,15-17H2,1H3
- InChI Key
- SMNPUFHCQOHCRU-UHFFFAOYSA-N
- Formula
- C23H27BrO5
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCCO
c1ccc(Br)cc1 - Molecular Weight1
- 463.36
- 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° | -210.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.83 | kJ/mol | Joback Calculated Property |
| log10WS | -7.40 | Crippen Calculated Property | |
| logPoct/wat | 5.812 | Crippen Calculated Property | |
| McVol | 325.660 | ml/mol | McGowan Calculated Property |
| Pc | 1423.99 | kPa | Joback Calculated Property |
| Inp | [3133.00; 3133.00] |
|
|
| Inp | 3133.00 | NIST | |
| Inp | 3133.00 | NIST | |
| Tboil | 1030.12 | K | Joback Calculated Property |
| Tc | 1265.79 | K | Joback Calculated Property |
| Tfus | 653.20 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.09; 1061.09] | J/mol×K | [1030.12; 1265.79] |
|
| Cp,gas | 1015.09 | J/mol×K | 1030.12 | Joback Calculated Property |
| Cp,gas | 1026.37 | J/mol×K | 1069.40 | Joback Calculated Property |
| Cp,gas | 1036.15 | J/mol×K | 1108.68 | Joback Calculated Property |
| Cp,gas | 1044.47 | J/mol×K | 1147.96 | Joback Calculated Property |
| Cp,gas | 1051.37 | J/mol×K | 1187.24 | Joback Calculated Property |
| Cp,gas | 1056.90 | J/mol×K | 1226.51 | Joback Calculated Property |
| Cp,gas | 1061.09 | J/mol×K | 1265.79 | Joback Calculated Property |
| η | [0.0000212; 0.0001582] | Pa×s | [653.20; 1030.12] |
|
| η | 0.0001582 | Pa×s | 653.20 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 716.02 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 778.84 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 841.66 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 904.48 | Joback Calculated Property |
| η | 0.0000266 | Pa×s | 967.30 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 1030.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(4-bromophenoxy)ethyl heptyl ester.
Sources
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