- InChI
- InChI=1S/C18H21F5O5/c1-2-3-4-5-6-7-27-12(24)9-26-10-13(25)28-8-11-14(19)16(21)18(23)17(22)15(11)20/h2-10H2,1H3
- InChI Key
- OAILAWXPUQXZQU-UHFFFAOYSA-N
- Formula
- C18H21F5O5
- SMILES
-
CCCCCCCOC(=O)COCC(=O)OCc1c(F)c
(F)c(F)c(F)c1F - Molecular Weight1
- 412.35
- 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° | -1381.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1838.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.43 | Crippen Calculated Property | |
| logPoct/wat | 3.955 | Crippen Calculated Property | |
| McVol | 270.320 | ml/mol | McGowan Calculated Property |
| Pc | 1239.83 | kPa | Joback Calculated Property |
| Inp | [2624.00; 2624.00] |
|
|
| Inp | 2624.00 | NIST | |
| Inp | 2624.00 | NIST | |
| Tboil | 834.17 | K | Joback Calculated Property |
| Tc | 1022.43 | K | Joback Calculated Property |
| Tfus | 551.14 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.88; 889.00] | J/mol×K | [834.17; 1022.43] |
|
| Cp,gas | 823.88 | J/mol×K | 834.17 | Joback Calculated Property |
| Cp,gas | 837.19 | J/mol×K | 865.55 | Joback Calculated Property |
| Cp,gas | 849.54 | J/mol×K | 896.92 | Joback Calculated Property |
| Cp,gas | 860.90 | J/mol×K | 928.30 | Joback Calculated Property |
| Cp,gas | 871.27 | J/mol×K | 959.68 | Joback Calculated Property |
| Cp,gas | 880.64 | J/mol×K | 991.05 | Joback Calculated Property |
| Cp,gas | 889.00 | J/mol×K | 1022.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, heptyl pentafluorobenzyl ester.
Sources
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