- InChI
- InChI=1S/C22H30BrFO4/c1-2-3-4-5-6-7-8-9-10-11-16-27-21(25)14-15-22(26)28-20-13-12-18(24)17-19(20)23/h10-13,17H,2-9,14-16H2,1H3/b11-10+
- InChI Key
- OHHLCBZLFMSSKQ-ZHACJKMWSA-N
- Formula
- C22H30BrFO4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCC(=O)Oc1c
cc(F)cc1Br - Molecular Weight1
- 457.37
- 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° | -340.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.05 | kJ/mol | Joback Calculated Property |
| log10WS | -7.86 | Crippen Calculated Property | |
| logPoct/wat | 6.514 | Crippen Calculated Property | |
| McVol | 326.930 | ml/mol | McGowan Calculated Property |
| Pc | 1221.70 | kPa | Joback Calculated Property |
| Inp | 2908.00 | NIST | |
| Tboil | 961.57 | K | Joback Calculated Property |
| Tc | 1178.82 | K | Joback Calculated Property |
| Tfus | 588.79 | K | Joback Calculated Property |
| Vc | 1.268 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1015.23; 1085.03] | J/mol×K | [961.57; 1178.82] | 
|
| Cp,gas | 1015.23 | J/mol×K | 961.57 | Joback Calculated Property |
| Cp,gas | 1029.48 | J/mol×K | 997.78 | Joback Calculated Property |
| Cp,gas | 1042.62 | J/mol×K | 1033.99 | Joback Calculated Property |
| Cp,gas | 1054.69 | J/mol×K | 1070.20 | Joback Calculated Property |
| Cp,gas | 1065.74 | J/mol×K | 1106.40 | Joback Calculated Property |
| Cp,gas | 1075.84 | J/mol×K | 1142.61 | Joback Calculated Property |
| Cp,gas | 1085.03 | J/mol×K | 1178.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 2-bromo-4-fluorophenyl ester.
Sources
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