- InChI
- InChI=1S/C24H33F5O4/c1-4-7-8-9-10-11-12-13-14-15-32-22(30)24(5-2,6-3)23(31)33-21-19(28)17(26)16(25)18(27)20(21)29/h4-15H2,1-3H3
- InChI Key
- DZNJYHKUCLMHAE-UHFFFAOYSA-N
- Formula
- C24H33F5O4
- SMILES
-
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O
)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 480.51
- 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° | -1223.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1838.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.53 | kJ/mol | Joback Calculated Property |
| log10WS | -8.76 | Crippen Calculated Property | |
| logPoct/wat | 7.168 | Crippen Calculated Property | |
| McVol | 348.990 | ml/mol | McGowan Calculated Property |
| Pc | 875.32 | kPa | Joback Calculated Property |
| Inp | [2380.00; 2380.00] |
|
|
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Tboil | 945.80 | K | Joback Calculated Property |
| Tc | 1160.70 | K | Joback Calculated Property |
| Tfus | 598.95 | K | Joback Calculated Property |
| Vc | 1.399 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1151.93; 1228.20] | J/mol×K | [945.80; 1160.70] |
|
| Cp,gas | 1151.93 | J/mol×K | 945.80 | Joback Calculated Property |
| Cp,gas | 1167.96 | J/mol×K | 981.62 | Joback Calculated Property |
| Cp,gas | 1182.60 | J/mol×K | 1017.43 | Joback Calculated Property |
| Cp,gas | 1195.91 | J/mol×K | 1053.25 | Joback Calculated Property |
| Cp,gas | 1207.91 | J/mol×K | 1089.07 | Joback Calculated Property |
| Cp,gas | 1218.67 | J/mol×K | 1124.88 | Joback Calculated Property |
| Cp,gas | 1228.20 | J/mol×K | 1160.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, pentafluorophenyl undecyl ester.
Sources
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