- InChI
- InChI=1S/C15H15F5O5/c1-2-3-4-24-9(21)6-23-7-10(22)25-5-8-11(16)13(18)15(20)14(19)12(8)17/h2-7H2,1H3
- InChI Key
- ZBTDDSFZUSHBLQ-UHFFFAOYSA-N
- Formula
- C15H15F5O5
- SMILES
-
CCCCOC(=O)COCC(=O)OCc1c(F)c(F)
c(F)c(F)c1F - Molecular Weight1
- 370.27
- 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° | -1407.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1776.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 2.785 | Crippen Calculated Property | |
| McVol | 228.050 | ml/mol | McGowan Calculated Property |
| Pc | 1535.46 | kPa | Joback Calculated Property |
| Inp | [2333.00; 2333.00] |
|
|
| Inp | 2333.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Tboil | 765.53 | K | Joback Calculated Property |
| Tc | 946.05 | K | Joback Calculated Property |
| Tfus | 517.33 | K | Joback Calculated Property |
| Vc | 0.923 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.57; 715.83] | J/mol×K | [765.53; 946.05] |
|
| Cp,gas | 655.57 | J/mol×K | 765.53 | Joback Calculated Property |
| Cp,gas | 667.50 | J/mol×K | 795.62 | Joback Calculated Property |
| Cp,gas | 678.69 | J/mol×K | 825.70 | Joback Calculated Property |
| Cp,gas | 689.13 | J/mol×K | 855.79 | Joback Calculated Property |
| Cp,gas | 698.81 | J/mol×K | 885.88 | Joback Calculated Property |
| Cp,gas | 707.72 | J/mol×K | 915.96 | Joback Calculated Property |
| Cp,gas | 715.83 | J/mol×K | 946.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, butyl pentafluorobenzyl ester.
Sources
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