- InChI
- InChI=1S/C32H49F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40-30(38)32(5-2,6-3)31(39)41-23-24-25(33)27(35)29(37)28(36)26(24)34/h4-23H2,1-3H3
- InChI Key
- WXNCOZHSLFVTPI-UHFFFAOYSA-N
- Formula
- C32H49F5O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)OCc1c(F)c(F)c(F)c(F)c1 F - Molecular Weight1
- 592.72
- 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° | -1156.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2003.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 84.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.34 | kJ/mol | Joback Calculated Property |
| log10WS | -11.96 | Crippen Calculated Property | |
| logPoct/wat | 10.036 | Crippen Calculated Property | |
| McVol | 461.710 | ml/mol | McGowan Calculated Property |
| Pc | 581.20 | kPa | Joback Calculated Property |
| Inp | [3156.00; 3156.00] |
|
|
| Inp | 3156.00 | NIST | |
| Inp | 3156.00 | NIST | |
| Tboil | 1128.84 | K | Joback Calculated Property |
| Tc | 1449.79 | K | Joback Calculated Property |
| Tfus | 689.11 | K | Joback Calculated Property |
| Vc | 1.847 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1652.80; 1735.57] | J/mol×K | [1128.84; 1449.79] |
|
| Cp,gas | 1652.80 | J/mol×K | 1128.84 | Joback Calculated Property |
| Cp,gas | 1673.66 | J/mol×K | 1182.33 | Joback Calculated Property |
| Cp,gas | 1691.40 | J/mol×K | 1235.82 | Joback Calculated Property |
| Cp,gas | 1706.24 | J/mol×K | 1289.31 | Joback Calculated Property |
| Cp,gas | 1718.40 | J/mol×K | 1342.80 | Joback Calculated Property |
| Cp,gas | 1728.10 | J/mol×K | 1396.30 | Joback Calculated Property |
| Cp,gas | 1735.57 | J/mol×K | 1449.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, octadecyl pentafluorobenzyl ester.
Sources
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