- InChI
- InChI=1S/C22H22Br2F2O4/c23-17-13-15(25)9-11-19(17)29-21(27)7-5-3-1-2-4-6-8-22(28)30-20-12-10-16(26)14-18(20)24/h9-14H,1-8H2
- InChI Key
- LKJKPGNMXKZYRZ-UHFFFAOYSA-N
- Formula
- C22H22Br2F2O4
- SMILES
-
O=C(CCCCCCCCC(=O)Oc1ccc(F)cc1B
r)Oc1ccc(F)cc1Br - Molecular Weight1
- 548.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -508.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.31 | kJ/mol | Joback Calculated Property |
| log10WS | -9.25 | Crippen Calculated Property | |
| logPoct/wat | 7.122 | Crippen Calculated Property | |
| McVol | 326.740 | ml/mol | McGowan Calculated Property |
| Pc | 1493.04 | kPa | Joback Calculated Property |
| Inp | [3364.00; 3364.00] |
|
|
| Inp | 3364.00 | NIST | |
| Inp | 3364.00 | NIST | |
| Tboil | 1059.48 | K | Joback Calculated Property |
| Tc | 1299.39 | K | Joback Calculated Property |
| Tfus | 705.72 | K | Joback Calculated Property |
| Vc | 1.260 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.41; 1011.49] | J/mol×K | [1059.48; 1299.39] |
|
| Cp,gas | 969.41 | J/mol×K | 1059.48 | Joback Calculated Property |
| Cp,gas | 979.23 | J/mol×K | 1099.46 | Joback Calculated Property |
| Cp,gas | 987.86 | J/mol×K | 1139.45 | Joback Calculated Property |
| Cp,gas | 995.33 | J/mol×K | 1179.43 | Joback Calculated Property |
| Cp,gas | 1001.72 | J/mol×K | 1219.42 | Joback Calculated Property |
| Cp,gas | 1007.09 | J/mol×K | 1259.40 | Joback Calculated Property |
| Cp,gas | 1011.49 | J/mol×K | 1299.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(2-bromo-4-fluorophenyl) ester.
Sources
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