- InChI
- InChI=1S/C22H39F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-28-19(26)21(6-2,7-3)20(27)29-18(4)22(23,24)25/h18H,5-17H2,1-4H3
- InChI Key
- TZFVWCWCFBDHKH-UHFFFAOYSA-N
- Formula
- C22H39F3O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)OC(C)C(F)(F)F - Molecular Weight1
- 424.54
- 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° | -914.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1598.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.29 | Crippen Calculated Property | |
| logPoct/wat | 6.751 | Crippen Calculated Property | |
| McVol | 341.030 | ml/mol | McGowan Calculated Property |
| Pc | 903.43 | kPa | Joback Calculated Property |
| Inp | 2096.00 | NIST | |
| Tboil | 846.25 | K | Joback Calculated Property |
| Tc | 1036.12 | K | Joback Calculated Property |
| Tfus | 473.63 | K | Joback Calculated Property |
| Vc | 1.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1115.37; 1209.15] | J/mol×K | [846.25; 1036.12] | 
|
| Cp,gas | 1115.37 | J/mol×K | 846.25 | Joback Calculated Property |
| Cp,gas | 1133.65 | J/mol×K | 877.90 | Joback Calculated Property |
| Cp,gas | 1150.79 | J/mol×K | 909.54 | Joback Calculated Property |
| Cp,gas | 1166.86 | J/mol×K | 941.19 | Joback Calculated Property |
| Cp,gas | 1181.91 | J/mol×K | 972.83 | Joback Calculated Property |
| Cp,gas | 1195.99 | J/mol×K | 1004.48 | Joback Calculated Property |
| Cp,gas | 1209.15 | J/mol×K | 1036.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, dodecyl 1,1,1-trifluoroprop-2-yl ester.
Sources
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