- InChI
- InChI=1S/C13H21F3O4/c1-5-8-19-10(17)12(6-2,7-3)11(18)20-9(4)13(14,15)16/h9H,5-8H2,1-4H3
- InChI Key
- DZFQJFWLMLPZFU-UHFFFAOYSA-N
- Formula
- C13H21F3O4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)OC(C)C(
F)(F)F - Molecular Weight1
- 298.30
- 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° | -990.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1412.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.240 | Crippen Calculated Property | |
| McVol | 214.220 | ml/mol | McGowan Calculated Property |
| Pc | 1648.43 | kPa | Joback Calculated Property |
| Inp | 1247.00 | NIST | |
| Tboil | 640.33 | K | Joback Calculated Property |
| Tc | 815.51 | K | Joback Calculated Property |
| Tfus | 372.20 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.45; 674.93] | J/mol×K | [640.33; 815.51] | 
|
| Cp,gas | 598.45 | J/mol×K | 640.33 | Joback Calculated Property |
| Cp,gas | 613.10 | J/mol×K | 669.53 | Joback Calculated Property |
| Cp,gas | 626.95 | J/mol×K | 698.72 | Joback Calculated Property |
| Cp,gas | 640.04 | J/mol×K | 727.92 | Joback Calculated Property |
| Cp,gas | 652.38 | J/mol×K | 757.11 | Joback Calculated Property |
| Cp,gas | 664.00 | J/mol×K | 786.31 | Joback Calculated Property |
| Cp,gas | 674.93 | J/mol×K | 815.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, propyl 1,1,1-trifluoroprop-2-yl ester.
Sources
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