- InChI
- InChI=1S/C20H28BrFO4/c1-15(2)14-25-19(23)9-7-5-3-4-6-8-10-20(24)26-18-12-11-16(22)13-17(18)21/h11-13,15H,3-10,14H2,1-2H3
- InChI Key
- XJVNZYHEQNNONC-UHFFFAOYSA-N
- Formula
- C20H28BrFO4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
c(F)cc1Br - Molecular Weight1
- 431.34
- 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° | -440.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -907.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 5.814 | Crippen Calculated Property | |
| McVol | 303.050 | ml/mol | McGowan Calculated Property |
| Pc | 1358.63 | kPa | Joback Calculated Property |
| Inp | [2709.00; 2709.00] |
|
|
| Inp | 2709.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Tboil | 911.21 | K | Joback Calculated Property |
| Tc | 1121.61 | K | Joback Calculated Property |
| Tfus | 556.33 | K | Joback Calculated Property |
| Vc | 1.169 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [924.82; 992.62] | J/mol×K | [911.21; 1121.61] |
|
| Cp,gas | 924.82 | J/mol×K | 911.21 | Joback Calculated Property |
| Cp,gas | 938.91 | J/mol×K | 946.28 | Joback Calculated Property |
| Cp,gas | 951.84 | J/mol×K | 981.34 | Joback Calculated Property |
| Cp,gas | 963.65 | J/mol×K | 1016.41 | Joback Calculated Property |
| Cp,gas | 974.36 | J/mol×K | 1051.48 | Joback Calculated Property |
| Cp,gas | 984.01 | J/mol×K | 1086.55 | Joback Calculated Property |
| Cp,gas | 992.62 | J/mol×K | 1121.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl isobutyl ester.
Sources
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