- InChI
- InChI=1S/C21H27F5O4/c1-4-7-8-9-10-11-29-19(27)21(5-2,6-3)20(28)30-12-13-14(22)16(24)18(26)17(25)15(13)23/h4-12H2,1-3H3
- InChI Key
- RQEOXXZOBALPCF-UHFFFAOYSA-N
- Formula
- C21H27F5O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc
1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 438.43
- 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° | -1248.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1776.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.86 | kJ/mol | Joback Calculated Property |
| log10WS | -7.35 | Crippen Calculated Property | |
| logPoct/wat | 5.745 | Crippen Calculated Property | |
| McVol | 306.720 | ml/mol | McGowan Calculated Property |
| Pc | 1045.97 | kPa | Joback Calculated Property |
| Inp | [2077.00; 2077.00] |
|
|
| Inp | 2077.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Tboil | 877.16 | K | Joback Calculated Property |
| Tc | 1074.10 | K | Joback Calculated Property |
| Tfus | 565.14 | K | Joback Calculated Property |
| Vc | 1.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [971.43; 1043.70] | J/mol×K | [877.16; 1074.10] |
|
| Cp,gas | 971.43 | J/mol×K | 877.16 | Joback Calculated Property |
| Cp,gas | 986.11 | J/mol×K | 909.98 | Joback Calculated Property |
| Cp,gas | 999.70 | J/mol×K | 942.81 | Joback Calculated Property |
| Cp,gas | 1012.24 | J/mol×K | 975.63 | Joback Calculated Property |
| Cp,gas | 1023.73 | J/mol×K | 1008.45 | Joback Calculated Property |
| Cp,gas | 1034.21 | J/mol×K | 1041.27 | Joback Calculated Property |
| Cp,gas | 1043.70 | J/mol×K | 1074.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl pentafluorobenzyl ester.
Sources
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