- InChI
- InChI=1S/C22H32ClFO4/c1-4-5-6-7-8-9-10-11-12-16-27-20(25)22(2,3)21(26)28-19-17(23)14-13-15-18(19)24/h13-15H,4-12,16H2,1-3H3
- InChI Key
- WCLTUOXFBNCFPM-UHFFFAOYSA-N
- Formula
- C22H32ClFO4
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)(C)C(=O)O
c1c(F)cccc1Cl - Molecular Weight1
- 414.94
- 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° | -444.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -994.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.75 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 6.485 | Crippen Calculated Property | |
| McVol | 325.970 | ml/mol | McGowan Calculated Property |
| Pc | 1111.11 | kPa | Joback Calculated Property |
| Inp | 2570.00 | NIST | |
| Tboil | 925.45 | K | Joback Calculated Property |
| Tc | 1135.93 | K | Joback Calculated Property |
| Tfus | 566.41 | K | Joback Calculated Property |
| Vc | 1.264 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.98; 1104.39] | J/mol×K | [925.45; 1135.93] | 
|
| Cp,gas | 1030.98 | J/mol×K | 925.45 | Joback Calculated Property |
| Cp,gas | 1046.05 | J/mol×K | 960.53 | Joback Calculated Property |
| Cp,gas | 1059.92 | J/mol×K | 995.61 | Joback Calculated Property |
| Cp,gas | 1072.64 | J/mol×K | 1030.69 | Joback Calculated Property |
| Cp,gas | 1084.26 | J/mol×K | 1065.77 | Joback Calculated Property |
| Cp,gas | 1094.83 | J/mol×K | 1100.85 | Joback Calculated Property |
| Cp,gas | 1104.39 | J/mol×K | 1135.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl undecyl ester.
Sources
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