- InChI
- InChI=1S/C24H36BrFO4/c1-2-3-4-5-10-13-18-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-17-16-20(26)19-21(22)25/h16-17,19H,2-15,18H2,1H3
- InChI Key
- BMSCDELVEZLLIR-UHFFFAOYSA-N
- Formula
- C24H36BrFO4
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1
ccc(F)cc1Br - Molecular Weight1
- 487.44
- 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° | -403.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -984.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.55 | kJ/mol | Joback Calculated Property |
| log10WS | -8.84 | Crippen Calculated Property | |
| logPoct/wat | 7.518 | Crippen Calculated Property | |
| McVol | 359.410 | ml/mol | McGowan Calculated Property |
| Pc | 1037.23 | kPa | Joback Calculated Property |
| Inp | 3178.00 | NIST | |
| Tboil | 1003.17 | K | Joback Calculated Property |
| Tc | 1228.58 | K | Joback Calculated Property |
| Tfus | 616.41 | K | Joback Calculated Property |
| Vc | 1.399 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1165.43; 1236.00] | J/mol×K | [1003.17; 1228.58] | 
|
| Cp,gas | 1165.43 | J/mol×K | 1003.17 | Joback Calculated Property |
| Cp,gas | 1180.55 | J/mol×K | 1040.74 | Joback Calculated Property |
| Cp,gas | 1194.27 | J/mol×K | 1078.31 | Joback Calculated Property |
| Cp,gas | 1206.62 | J/mol×K | 1115.87 | Joback Calculated Property |
| Cp,gas | 1217.65 | J/mol×K | 1153.44 | Joback Calculated Property |
| Cp,gas | 1227.43 | J/mol×K | 1191.01 | Joback Calculated Property |
| Cp,gas | 1236.00 | J/mol×K | 1228.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl octyl ester.
Sources
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