- InChI
- InChI=1S/C23H34BrFO4/c1-2-3-4-9-12-17-28-22(26)13-10-7-5-6-8-11-14-23(27)29-21-16-15-19(25)18-20(21)24/h15-16,18H,2-14,17H2,1H3
- InChI Key
- TVURTGRHOFDBMJ-UHFFFAOYSA-N
- Formula
- C23H34BrFO4
- SMILES
-
CCCCCCCOC(=O)CCCCCCCCC(=O)Oc1c
cc(F)cc1Br - Molecular Weight1
- 473.42
- 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° | -412.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -963.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.32 | kJ/mol | Joback Calculated Property |
| log10WS | -8.42 | Crippen Calculated Property | |
| logPoct/wat | 7.128 | Crippen Calculated Property | |
| McVol | 345.320 | ml/mol | McGowan Calculated Property |
| Pc | 1104.47 | kPa | Joback Calculated Property |
| Inp | [3075.00; 3075.00] |
|
|
| Inp | 3075.00 | NIST | |
| Inp | 3075.00 | NIST | |
| Tboil | 980.29 | K | Joback Calculated Property |
| Tc | 1200.16 | K | Joback Calculated Property |
| Tfus | 605.14 | K | Joback Calculated Property |
| Vc | 1.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1104.35; 1174.31] | J/mol×K | [980.29; 1200.16] |
|
| Cp,gas | 1104.35 | J/mol×K | 980.29 | Joback Calculated Property |
| Cp,gas | 1119.18 | J/mol×K | 1016.93 | Joback Calculated Property |
| Cp,gas | 1132.69 | J/mol×K | 1053.58 | Joback Calculated Property |
| Cp,gas | 1144.91 | J/mol×K | 1090.22 | Joback Calculated Property |
| Cp,gas | 1155.89 | J/mol×K | 1126.87 | Joback Calculated Property |
| Cp,gas | 1165.67 | J/mol×K | 1163.51 | Joback Calculated Property |
| Cp,gas | 1174.31 | J/mol×K | 1200.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl heptyl ester.
Sources
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