- InChI
- InChI=1S/C23H31F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-31-21(29)23(2,3)22(30)32-20-18(27)16(25)15(24)17(26)19(20)28/h4-14H2,1-3H3
- InChI Key
- RDJAMWRLXBVZKG-UHFFFAOYSA-N
- Formula
- C23H31F5O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)
Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 466.48
- 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° | -1232.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1817.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.31 | kJ/mol | Joback Calculated Property |
| log10WS | -8.34 | Crippen Calculated Property | |
| logPoct/wat | 6.778 | Crippen Calculated Property | |
| McVol | 334.900 | ml/mol | McGowan Calculated Property |
| Pc | 927.24 | kPa | Joback Calculated Property |
| Inp | [2298.00; 2298.00] |
|
|
| Inp | 2298.00 | NIST | |
| Inp | 2298.00 | NIST | |
| Tboil | 922.92 | K | Joback Calculated Property |
| Tc | 1130.80 | K | Joback Calculated Property |
| Tfus | 587.68 | K | Joback Calculated Property |
| Vc | 1.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1091.17; 1166.16] | J/mol×K | [922.92; 1130.80] |
|
| Cp,gas | 1091.17 | J/mol×K | 922.92 | Joback Calculated Property |
| Cp,gas | 1106.72 | J/mol×K | 957.57 | Joback Calculated Property |
| Cp,gas | 1121.01 | J/mol×K | 992.21 | Joback Calculated Property |
| Cp,gas | 1134.06 | J/mol×K | 1026.86 | Joback Calculated Property |
| Cp,gas | 1145.92 | J/mol×K | 1061.51 | Joback Calculated Property |
| Cp,gas | 1156.61 | J/mol×K | 1096.15 | Joback Calculated Property |
| Cp,gas | 1166.16 | J/mol×K | 1130.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, dodecyl pentafluorophenyl ester.
Sources
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