- InChI
- InChI=1S/C19H26BrFO4/c1-2-13-24-18(22)9-7-5-3-4-6-8-10-19(23)25-17-12-11-15(21)14-16(17)20/h11-12,14H,2-10,13H2,1H3
- InChI Key
- AREPZDHYFJTHCV-UHFFFAOYSA-N
- Formula
- C19H26BrFO4
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1ccc(F
)cc1Br - Molecular Weight1
- 417.31
- 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° | -446.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.75 | Crippen Calculated Property | |
| logPoct/wat | 5.568 | Crippen Calculated Property | |
| McVol | 288.960 | ml/mol | McGowan Calculated Property |
| Pc | 1451.25 | kPa | Joback Calculated Property |
| Inp | [2646.00; 2646.00] |
|
|
| Inp | 2646.00 | NIST | |
| Inp | 2646.00 | NIST | |
| Tboil | 888.77 | K | Joback Calculated Property |
| Tc | 1096.25 | K | Joback Calculated Property |
| Tfus | 560.06 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [865.58; 932.65] | J/mol×K | [888.77; 1096.25] |
|
| Cp,gas | 865.58 | J/mol×K | 888.77 | Joback Calculated Property |
| Cp,gas | 879.37 | J/mol×K | 923.35 | Joback Calculated Property |
| Cp,gas | 892.08 | J/mol×K | 957.93 | Joback Calculated Property |
| Cp,gas | 903.74 | J/mol×K | 992.51 | Joback Calculated Property |
| Cp,gas | 914.37 | J/mol×K | 1027.09 | Joback Calculated Property |
| Cp,gas | 924.00 | J/mol×K | 1061.67 | Joback Calculated Property |
| Cp,gas | 932.65 | J/mol×K | 1096.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl propyl ester.
Sources
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