- InChI
- InChI=1S/C23H32BrFO4/c1-2-3-4-5-6-7-8-9-10-11-17-28-22(26)13-12-14-23(27)29-21-16-15-19(25)18-20(21)24/h10-11,15-16,18H,2-9,12-14,17H2,1H3/b11-10+
- InChI Key
- RTODNQSMRWAMHN-ZHACJKMWSA-N
- Formula
- C23H32BrFO4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1
ccc(F)cc1Br - Molecular Weight1
- 471.40
- 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° | -332.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.28 | kJ/mol | Joback Calculated Property |
| log10WS | -8.27 | Crippen Calculated Property | |
| logPoct/wat | 6.904 | Crippen Calculated Property | |
| McVol | 341.020 | ml/mol | McGowan Calculated Property |
| Pc | 1143.66 | kPa | Joback Calculated Property |
| Inp | [2994.00; 2994.00] |
|
|
| Inp | 2994.00 | NIST | |
| Inp | 2994.00 | NIST | |
| Tboil | 984.45 | K | Joback Calculated Property |
| Tc | 1205.54 | K | Joback Calculated Property |
| Tfus | 600.06 | K | Joback Calculated Property |
| Vc | 1.323 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.62; 1146.67] | J/mol×K | [984.45; 1205.54] |
|
| Cp,gas | 1075.62 | J/mol×K | 984.45 | Joback Calculated Property |
| Cp,gas | 1090.19 | J/mol×K | 1021.30 | Joback Calculated Property |
| Cp,gas | 1103.59 | J/mol×K | 1058.15 | Joback Calculated Property |
| Cp,gas | 1115.88 | J/mol×K | 1095.00 | Joback Calculated Property |
| Cp,gas | 1127.12 | J/mol×K | 1131.85 | Joback Calculated Property |
| Cp,gas | 1137.36 | J/mol×K | 1168.70 | Joback Calculated Property |
| Cp,gas | 1146.67 | J/mol×K | 1205.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 2-bromo-4-fluorophenyl ester.
Sources
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