- InChI
- InChI=1S/C19H23F5O4/c1-4-7-8-9-10-27-17(25)19(5-2,6-3)18(26)28-16-14(23)12(21)11(20)13(22)15(16)24/h4-10H2,1-3H3
- InChI Key
- WPSUHZCPTQKMBE-UHFFFAOYSA-N
- Formula
- C19H23F5O4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 410.38
- 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° | -1265.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1735.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.67 | Crippen Calculated Property | |
| logPoct/wat | 5.217 | Crippen Calculated Property | |
| McVol | 278.540 | ml/mol | McGowan Calculated Property |
| Pc | 1189.06 | kPa | Joback Calculated Property |
| Inp | [1887.00; 1887.00] |
|
|
| Inp | 1887.00 | NIST | |
| Inp | 1887.00 | NIST | |
| Tboil | 831.40 | K | Joback Calculated Property |
| Tc | 1021.03 | K | Joback Calculated Property |
| Tfus | 542.60 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.49; 923.78] | J/mol×K | [831.40; 1021.03] |
|
| Cp,gas | 854.49 | J/mol×K | 831.40 | Joback Calculated Property |
| Cp,gas | 868.34 | J/mol×K | 863.00 | Joback Calculated Property |
| Cp,gas | 881.25 | J/mol×K | 894.61 | Joback Calculated Property |
| Cp,gas | 893.23 | J/mol×K | 926.21 | Joback Calculated Property |
| Cp,gas | 904.30 | J/mol×K | 957.82 | Joback Calculated Property |
| Cp,gas | 914.48 | J/mol×K | 989.42 | Joback Calculated Property |
| Cp,gas | 923.78 | J/mol×K | 1021.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, hexyl pentafluorophenyl ester.
Sources
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