- InChI
- InChI=1S/C18H24BrFO4/c1-2-23-17(21)9-7-5-3-4-6-8-10-18(22)24-16-12-11-14(20)13-15(16)19/h11-13H,2-10H2,1H3
- InChI Key
- GGZMQQYXAVYDLM-UHFFFAOYSA-N
- Formula
- C18H24BrFO4
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)Oc1ccc(F)
cc1Br - Molecular Weight1
- 403.28
- 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° | -454.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.19 | kJ/mol | Joback Calculated Property |
| log10WS | -6.33 | Crippen Calculated Property | |
| logPoct/wat | 5.177 | Crippen Calculated Property | |
| McVol | 274.870 | ml/mol | McGowan Calculated Property |
| Pc | 1563.52 | kPa | Joback Calculated Property |
| Inp | 2548.00 | NIST | |
| Tboil | 865.89 | K | Joback Calculated Property |
| Tc | 1072.39 | K | Joback Calculated Property |
| Tfus | 548.79 | K | Joback Calculated Property |
| Vc | 1.063 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.56; 873.70] | J/mol×K | [865.89; 1072.39] | 
|
| Cp,gas | 807.56 | J/mol×K | 865.89 | Joback Calculated Property |
| Cp,gas | 821.09 | J/mol×K | 900.31 | Joback Calculated Property |
| Cp,gas | 833.59 | J/mol×K | 934.72 | Joback Calculated Property |
| Cp,gas | 845.08 | J/mol×K | 969.14 | Joback Calculated Property |
| Cp,gas | 855.58 | J/mol×K | 1003.56 | Joback Calculated Property |
| Cp,gas | 865.11 | J/mol×K | 1037.98 | Joback Calculated Property |
| Cp,gas | 873.70 | J/mol×K | 1072.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl ethyl ester.
Sources
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