- InChI
- InChI=1S/C14H12BrFO4/c1-3-9(2)19-13(17)6-7-14(18)20-12-5-4-10(16)8-11(12)15/h1,4-5,8-9H,6-7H2,2H3
- InChI Key
- YPOQEMYXQHZJKO-UHFFFAOYSA-N
- Formula
- C14H12BrFO4
- SMILES
-
C#CC(C)OC(=O)CCC(=O)Oc1ccc(F)c
c1Br - Molecular Weight1
- 343.14
- 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° | -267.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.76 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 2.839 | Crippen Calculated Property | |
| McVol | 209.910 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | [1976.00; 1976.00] |
|
|
| Inp | 1976.00 | NIST | |
| Inp | 1976.00 | NIST | |
| Tboil | 764.05 | K | Joback Calculated Property |
| Tc | 987.73 | K | Joback Calculated Property |
| Tfus | 535.68 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.70; 588.86] | J/mol×K | [764.05; 987.73] |
|
| Cp,gas | 533.70 | J/mol×K | 764.05 | Joback Calculated Property |
| Cp,gas | 545.03 | J/mol×K | 801.33 | Joback Calculated Property |
| Cp,gas | 555.47 | J/mol×K | 838.61 | Joback Calculated Property |
| Cp,gas | 565.06 | J/mol×K | 875.89 | Joback Calculated Property |
| Cp,gas | 573.81 | J/mol×K | 913.17 | Joback Calculated Property |
| Cp,gas | 581.73 | J/mol×K | 950.45 | Joback Calculated Property |
| Cp,gas | 588.86 | J/mol×K | 987.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, but-3-yn-2-yl 2-bromo-4-fluorophenyl ester.
Sources
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