- InChI
- InChI=1S/C22H24Br2O4/c23-17-9-13-19(14-10-17)27-21(25)7-5-3-1-2-4-6-8-22(26)28-20-15-11-18(24)12-16-20/h9-16H,1-8H2
- InChI Key
- OAYRQYGBYPQZKJ-UHFFFAOYSA-N
- Formula
- C22H24Br2O4
- SMILES
-
O=C(CCCCCCCCC(=O)Oc1ccc(Br)cc1
)Oc1ccc(Br)cc1 - Molecular Weight1
- 512.23
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0748 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.843 | Crippen Calculated Property | |
| McVol | 323.200 | ml/mol | McGowan Calculated Property |
| Pc | 1641.76 | kPa | Joback Calculated Property |
| Inp | 3622.00 | NIST | |
| Tboil | 716.91 | K | Relay (1.0) Calculated Property |
| Tc | 967.01 | K | Relay (1.0) Calculated Property |
| Tfus | 379.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.151 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [959.58; 1007.79] | J/mol×K | [1050.98; 1294.98] | 
|
| Cp,gas | 959.58 | J/mol×K | 1050.98 | Joback Calculated Property |
| Cp,gas | 970.29 | J/mol×K | 1091.65 | Joback Calculated Property |
| Cp,gas | 979.83 | J/mol×K | 1132.31 | Joback Calculated Property |
| Cp,gas | 988.27 | J/mol×K | 1172.98 | Joback Calculated Property |
| Cp,gas | 995.69 | J/mol×K | 1213.65 | Joback Calculated Property |
| Cp,gas | 1002.17 | J/mol×K | 1254.31 | Joback Calculated Property |
| Cp,gas | 1007.79 | J/mol×K | 1294.98 | Joback Calculated Property |
| η | [0.0000250; 0.0001672] | Pa×s | [679.50; 1050.98] |
|
| η | 0.0001672 | Pa×s | 679.50 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 741.41 | Joback Calculated Property |
| η | 0.0000730 | Pa×s | 803.33 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 865.24 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 927.15 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 989.07 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 1050.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(4-bromophenyl) ester.
Sources
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