- InChI
- InChI=1S/C18H8F10O5/c19-9-5(10(20)14(24)17(27)13(9)23)1-32-7(29)3-31-4-8(30)33-2-6-11(21)15(25)18(28)16(26)12(6)22/h1-4H2
- InChI Key
- OLMOTAQHFRKKQH-UHFFFAOYSA-N
- Formula
- C18H8F10O5
- SMILES
-
O=C(COCC(=O)OCc1c(F)c(F)c(F)c(
F)c1F)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 494.24
- 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° | -2291.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2639.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.68 | Crippen Calculated Property | |
| logPoct/wat | 3.881 | Crippen Calculated Property | |
| McVol | 255.410 | ml/mol | McGowan Calculated Property |
| Pc | 1267.35 | kPa | Joback Calculated Property |
| Inp | [2647.00; 2647.00] |
|
|
| Inp | 2647.00 | NIST | |
| Inp | 2647.00 | NIST | |
| Tboil | 882.10 | K | Joback Calculated Property |
| Tc | 1079.94 | K | Joback Calculated Property |
| Tfus | 643.11 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.88; 796.41] | J/mol×K | [882.10; 1079.94] |
|
| Cp,gas | 755.88 | J/mol×K | 882.10 | Joback Calculated Property |
| Cp,gas | 765.31 | J/mol×K | 915.07 | Joback Calculated Property |
| Cp,gas | 773.69 | J/mol×K | 948.05 | Joback Calculated Property |
| Cp,gas | 781.02 | J/mol×K | 981.02 | Joback Calculated Property |
| Cp,gas | 787.27 | J/mol×K | 1014.00 | Joback Calculated Property |
| Cp,gas | 792.41 | J/mol×K | 1046.97 | Joback Calculated Property |
| Cp,gas | 796.41 | J/mol×K | 1079.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, di(pentafluorobenzyl) ester.
Sources
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