- InChI
- InChI=1S/C15H18BrFO4/c1-9(2)10(3)20-14(18)6-7-15(19)21-13-5-4-11(17)8-12(13)16/h4-5,8-10H,6-7H2,1-3H3
- InChI Key
- NNBITSKAHLQOED-UHFFFAOYSA-N
- Formula
- C15H18BrFO4
- SMILES
-
CC(C)C(C)OC(=O)CCC(=O)Oc1ccc(F
)cc1Br - Molecular Weight1
- 361.20
- 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° | -484.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -809.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 3.861 | Crippen Calculated Property | |
| McVol | 232.600 | ml/mol | McGowan Calculated Property |
| Pc | 2019.95 | kPa | Joback Calculated Property |
| Inp | [2057.00; 2057.00] |
|
|
| Inp | 2057.00 | NIST | |
| Inp | 2057.00 | NIST | |
| Tboil | 796.37 | K | Joback Calculated Property |
| Tc | 1009.92 | K | Joback Calculated Property |
| Tfus | 484.98 | K | Joback Calculated Property |
| Vc | 0.883 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [639.72; 703.03] | J/mol×K | [796.37; 1009.92] |
|
| Cp,gas | 639.72 | J/mol×K | 796.37 | Joback Calculated Property |
| Cp,gas | 652.69 | J/mol×K | 831.96 | Joback Calculated Property |
| Cp,gas | 664.67 | J/mol×K | 867.55 | Joback Calculated Property |
| Cp,gas | 675.68 | J/mol×K | 903.14 | Joback Calculated Property |
| Cp,gas | 685.74 | J/mol×K | 938.74 | Joback Calculated Property |
| Cp,gas | 694.85 | J/mol×K | 974.33 | Joback Calculated Property |
| Cp,gas | 703.03 | J/mol×K | 1009.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 2-bromo-4-fluorophenyl ester.
Sources
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