- InChI
- InChI=1S/C12H17F3O4/c1-4-5-8(2)18-10(16)6-7-11(17)19-9(3)12(13,14)15/h4,8-9H,1,5-7H2,2-3H3
- InChI Key
- VWGKDENEBJFXMW-UHFFFAOYSA-N
- Formula
- C12H17F3O4
- SMILES
-
C=CCC(C)OC(=O)CCC(=O)OC(C)C(F)
(F)F - Molecular Weight1
- 282.26
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6196 | Relay (1.0) Calculated Property | |
| ΔfG° | -916.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1471.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.768 | Crippen Calculated Property | |
| McVol | 195.830 | ml/mol | McGowan Calculated Property |
| Pc | 1832.54 | kPa | Joback Calculated Property |
| Inp | [1310.00; 1310.00] |
|
|
| Inp | 1310.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Tboil | 487.84 | K | Relay (1.0) Calculated Property |
| Tc | 637.74 | K | Relay (1.0) Calculated Property |
| Tfus | 258.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.703 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.33; 592.62] | J/mol×K | [616.92; 790.59] |
|
| Cp,gas | 522.33 | J/mol×K | 616.92 | Joback Calculated Property |
| Cp,gas | 535.71 | J/mol×K | 645.87 | Joback Calculated Property |
| Cp,gas | 548.40 | J/mol×K | 674.81 | Joback Calculated Property |
| Cp,gas | 560.42 | J/mol×K | 703.76 | Joback Calculated Property |
| Cp,gas | 571.78 | J/mol×K | 732.70 | Joback Calculated Property |
| Cp,gas | 582.51 | J/mol×K | 761.65 | Joback Calculated Property |
| Cp,gas | 592.62 | J/mol×K | 790.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl pent-4-en-2-yl ester.
Sources
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