- InChI
- InChI=1S/C14H13F5O5/c1-2-3-23-8(20)5-22-6-9(21)24-4-7-10(15)12(17)14(19)13(18)11(7)16/h2-6H2,1H3
- InChI Key
- NCTBBOHGBONYDK-UHFFFAOYSA-N
- Formula
- C14H13F5O5
- SMILES
-
CCCOC(=O)COCC(=O)OCc1c(F)c(F)c
(F)c(F)c1F - Molecular Weight1
- 356.24
- 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° | -1415.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1755.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 213.960 | ml/mol | McGowan Calculated Property |
| Pc | 1657.84 | kPa | Joback Calculated Property |
| Inp | [2200.00; 2200.00] |
|
|
| Inp | 2200.00 | NIST | |
| Inp | 2200.00 | NIST | |
| Tboil | 742.65 | K | Joback Calculated Property |
| Tc | 921.94 | K | Joback Calculated Property |
| Tfus | 506.06 | K | Joback Calculated Property |
| Vc | 0.868 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.51; 659.63] | J/mol×K | [742.65; 921.94] |
|
| Cp,gas | 601.51 | J/mol×K | 742.65 | Joback Calculated Property |
| Cp,gas | 612.91 | J/mol×K | 772.53 | Joback Calculated Property |
| Cp,gas | 623.65 | J/mol×K | 802.41 | Joback Calculated Property |
| Cp,gas | 633.71 | J/mol×K | 832.30 | Joback Calculated Property |
| Cp,gas | 643.07 | J/mol×K | 862.18 | Joback Calculated Property |
| Cp,gas | 651.71 | J/mol×K | 892.06 | Joback Calculated Property |
| Cp,gas | 659.63 | J/mol×K | 921.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, pentafluorobenzyl propyl ester.
Sources
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