- InChI
- InChI=1S/C18H21F5O4/c1-4-7-8-26-16(24)18(5-2,6-3)17(25)27-9-10-11(19)13(21)15(23)14(22)12(10)20/h4-9H2,1-3H3
- InChI Key
- OAWLEFSIILUEAX-UHFFFAOYSA-N
- Formula
- C18H21F5O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OCc1c(
F)c(F)c(F)c(F)c1F - Molecular Weight1
- 396.35
- 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° | -1274.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1714.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.18 | kJ/mol | Joback Calculated Property |
| log10WS | -6.10 | Crippen Calculated Property | |
| logPoct/wat | 4.575 | Crippen Calculated Property | |
| McVol | 264.450 | ml/mol | McGowan Calculated Property |
| Pc | 1271.87 | kPa | Joback Calculated Property |
| Inp | [1793.00; 1793.00] |
|
|
| Inp | 1793.00 | NIST | |
| Inp | 1793.00 | NIST | |
| Tboil | 808.52 | K | Joback Calculated Property |
| Tc | 995.69 | K | Joback Calculated Property |
| Tfus | 531.33 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [797.24; 864.90] | J/mol×K | [808.52; 995.69] |
|
| Cp,gas | 797.24 | J/mol×K | 808.52 | Joback Calculated Property |
| Cp,gas | 810.68 | J/mol×K | 839.72 | Joback Calculated Property |
| Cp,gas | 823.23 | J/mol×K | 870.91 | Joback Calculated Property |
| Cp,gas | 834.92 | J/mol×K | 902.11 | Joback Calculated Property |
| Cp,gas | 845.75 | J/mol×K | 933.30 | Joback Calculated Property |
| Cp,gas | 855.74 | J/mol×K | 964.50 | Joback Calculated Property |
| Cp,gas | 864.90 | J/mol×K | 995.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl pentafluorobenzyl ester.
Sources
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