- InChI
- InChI=1S/C27H42ClFO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-32-25(30)27(5-2,6-3)26(31)33-24-22(28)19-18-20-23(24)29/h18-20H,4-17,21H2,1-3H3
- InChI Key
- KLANPTDHODLZSF-UHFFFAOYSA-N
- Formula
- C27H42ClFO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C
(=O)Oc1c(F)cccc1Cl - Molecular Weight1
- 485.07
- 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° | -402.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1097.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.88 | kJ/mol | Joback Calculated Property |
| log10WS | -9.38 | Crippen Calculated Property | |
| logPoct/wat | 8.435 | Crippen Calculated Property | |
| McVol | 396.420 | ml/mol | McGowan Calculated Property |
| Pc | 825.74 | kPa | Joback Calculated Property |
| Inp | 3095.00 | NIST | |
| Tboil | 1039.85 | K | Joback Calculated Property |
| Tc | 1276.78 | K | Joback Calculated Property |
| Tfus | 622.76 | K | Joback Calculated Property |
| Vc | 1.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1337.95; 1416.02] | J/mol×K | [1039.85; 1276.78] | 
|
| Cp,gas | 1337.95 | J/mol×K | 1039.85 | Joback Calculated Property |
| Cp,gas | 1354.55 | J/mol×K | 1079.34 | Joback Calculated Property |
| Cp,gas | 1369.60 | J/mol×K | 1118.83 | Joback Calculated Property |
| Cp,gas | 1383.18 | J/mol×K | 1158.31 | Joback Calculated Property |
| Cp,gas | 1395.38 | J/mol×K | 1197.80 | Joback Calculated Property |
| Cp,gas | 1406.30 | J/mol×K | 1237.29 | Joback Calculated Property |
| Cp,gas | 1416.02 | J/mol×K | 1276.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-chloro-6-fluorophenyl tetradecyl ester.
Sources
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