- InChI
- InChI=1S/C9H9F3O5/c1-5(13)4-6(2-3-7(14)15)17-8(16)9(10,11)12/h4H,2-3H2,1H3,(H,14,15)/b6-4-
- InChI Key
- IFBOHNHOCRODNL-XQRVVYSFSA-N
- Formula
- C9H9F3O5
- SMILES
-
CC(=O)C=C(CCC(=O)O)OC(=O)C(F)(
F)F - Molecular Weight1
- 254.16
- 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° | -1113.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1340.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.25 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.430 | Crippen Calculated Property | |
| McVol | 155.130 | ml/mol | McGowan Calculated Property |
| Pc | 2838.39 | kPa | Joback Calculated Property |
| Inp | [1259.00; 1259.00] |
|
|
| Inp | 1259.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Tboil | 680.15 | K | Joback Calculated Property |
| Tc | 860.02 | K | Joback Calculated Property |
| Tfus | 409.18 | K | Joback Calculated Property |
| Vc | 0.619 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.37; 456.79] | J/mol×K | [680.15; 860.02] |
|
| Cp,gas | 414.37 | J/mol×K | 680.15 | Joback Calculated Property |
| Cp,gas | 422.67 | J/mol×K | 710.13 | Joback Calculated Property |
| Cp,gas | 430.44 | J/mol×K | 740.11 | Joback Calculated Property |
| Cp,gas | 437.71 | J/mol×K | 770.09 | Joback Calculated Property |
| Cp,gas | 444.50 | J/mol×K | 800.06 | Joback Calculated Property |
| Cp,gas | 450.86 | J/mol×K | 830.04 | Joback Calculated Property |
| Cp,gas | 456.79 | J/mol×K | 860.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-6-oxohept-4-enoic acid, trifluoroacetate.
Sources
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