- InChI
- InChI=1S/C29H43F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-37-27(35)29(5-2,6-3)28(36)38-20-21-22(30)24(32)26(34)25(33)23(21)31/h4-20H2,1-3H3
- InChI Key
- KBNMCRTXSZFBNJ-UHFFFAOYSA-N
- Formula
- C29H43F5O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)
C(=O)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 550.64
- 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° | -1181.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1941.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 76.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.67 | kJ/mol | Joback Calculated Property |
| log10WS | -10.70 | Crippen Calculated Property | |
| logPoct/wat | 8.866 | Crippen Calculated Property | |
| McVol | 419.440 | ml/mol | McGowan Calculated Property |
| Pc | 671.16 | kPa | Joback Calculated Property |
| Inp | [2838.00; 2838.00] |
|
|
| Inp | 2838.00 | NIST | |
| Inp | 2838.00 | NIST | |
| Tboil | 1060.20 | K | Joback Calculated Property |
| Tc | 1329.29 | K | Joback Calculated Property |
| Tfus | 655.30 | K | Joback Calculated Property |
| Vc | 1.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1462.56; 1543.97] | J/mol×K | [1060.20; 1329.29] |
|
| Cp,gas | 1462.56 | J/mol×K | 1060.20 | Joback Calculated Property |
| Cp,gas | 1481.36 | J/mol×K | 1105.05 | Joback Calculated Property |
| Cp,gas | 1497.92 | J/mol×K | 1149.90 | Joback Calculated Property |
| Cp,gas | 1512.35 | J/mol×K | 1194.75 | Joback Calculated Property |
| Cp,gas | 1524.76 | J/mol×K | 1239.59 | Joback Calculated Property |
| Cp,gas | 1535.26 | J/mol×K | 1284.44 | Joback Calculated Property |
| Cp,gas | 1543.97 | J/mol×K | 1329.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, pentadecyl pentafluorobenzyl ester.
Sources
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