- InChI
- InChI=1S/C15H16BrFO4/c1-10(2)7-8-20-14(18)5-6-15(19)21-13-4-3-11(17)9-12(13)16/h3-4,7,9H,5-6,8H2,1-2H3
- InChI Key
- SIJLJMXVATXXSC-UHFFFAOYSA-N
- Formula
- C15H16BrFO4
- SMILES
-
CC(C)=CCOC(=O)CCC(=O)Oc1ccc(F)
cc1Br - Molecular Weight1
- 359.19
- 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° | -408.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen Calculated Property | |
| logPoct/wat | 3.783 | Crippen Calculated Property | |
| McVol | 228.300 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | 2168.00 | NIST | |
| Tboil | 801.29 | K | Joback Calculated Property |
| Tc | 1017.65 | K | Joback Calculated Property |
| Tfus | 495.94 | K | Joback Calculated Property |
| Vc | 0.876 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.19; 672.77] | J/mol×K | [801.29; 1017.65] | 
|
| Cp,gas | 612.19 | J/mol×K | 801.29 | Joback Calculated Property |
| Cp,gas | 624.42 | J/mol×K | 837.35 | Joback Calculated Property |
| Cp,gas | 635.75 | J/mol×K | 873.41 | Joback Calculated Property |
| Cp,gas | 646.22 | J/mol×K | 909.47 | Joback Calculated Property |
| Cp,gas | 655.86 | J/mol×K | 945.53 | Joback Calculated Property |
| Cp,gas | 664.70 | J/mol×K | 981.59 | Joback Calculated Property |
| Cp,gas | 672.77 | J/mol×K | 1017.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 2-bromo-4-fluorophenyl ester.
Sources
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