- InChI
- InChI=1S/C23H27BrO4/c1-2-3-4-5-6-7-8-16-27-22(25)18-10-9-11-19(17-18)23(26)28-21-14-12-20(24)13-15-21/h9-15,17H,2-8,16H2,1H3
- InChI Key
- KRRMVCPENVVIPF-UHFFFAOYSA-N
- Formula
- C23H27BrO4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
ccc(Br)cc2)c1 - Molecular Weight1
- 447.36
- 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° | -105.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.42 | kJ/mol | Joback Calculated Property |
| log10WS | -8.31 | Crippen Calculated Property | |
| logPoct/wat | 6.576 | Crippen Calculated Property | |
| McVol | 319.790 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Inp | [3350.00; 3350.00] |
|
|
| Inp | 3350.00 | NIST | |
| Inp | 3350.00 | NIST | |
| Tboil | 1007.70 | K | Joback Calculated Property |
| Tc | 1241.48 | K | Joback Calculated Property |
| Tfus | 630.97 | K | Joback Calculated Property |
| Vc | 1.218 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.51; 1045.39] | J/mol×K | [1007.70; 1241.48] |
|
| Cp,gas | 989.51 | J/mol×K | 1007.70 | Joback Calculated Property |
| Cp,gas | 1001.91 | J/mol×K | 1046.66 | Joback Calculated Property |
| Cp,gas | 1013.00 | J/mol×K | 1085.63 | Joback Calculated Property |
| Cp,gas | 1022.83 | J/mol×K | 1124.59 | Joback Calculated Property |
| Cp,gas | 1031.46 | J/mol×K | 1163.55 | Joback Calculated Property |
| Cp,gas | 1038.96 | J/mol×K | 1202.51 | Joback Calculated Property |
| Cp,gas | 1045.39 | J/mol×K | 1241.48 | Joback Calculated Property |
| η | [0.0000289; 0.0002246] | Pa×s | [630.97; 1007.70] |
|
| η | 0.0002246 | Pa×s | 630.97 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 693.76 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 756.55 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 819.34 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 882.12 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 944.91 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 1007.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-bromophenyl nonyl ester.
Sources
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