- InChI
- InChI=1S/C16H20ClFO5/c1-2-3-4-5-9-22-14(19)10-21-11-15(20)23-16-12(17)7-6-8-13(16)18/h6-8H,2-5,9-11H2,1H3
- InChI Key
- ULSPKRIOJJHPPT-UHFFFAOYSA-N
- Formula
- C16H20ClFO5
- SMILES
-
CCCCCCOC(=O)COCC(=O)Oc1c(F)ccc
c1Cl - Molecular Weight1
- 346.78
- 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° | -602.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -993.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.525 | Crippen Calculated Property | |
| McVol | 247.300 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | [2897.00; 2897.00] |
|
|
| Inp | 2897.00 | NIST | |
| Inp | 2897.00 | NIST | |
| Tboil | 813.82 | K | Joback Calculated Property |
| Tc | 1014.41 | K | Joback Calculated Property |
| Tfus | 518.60 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.94; 772.42] | J/mol×K | [813.82; 1014.41] |
|
| Cp,gas | 708.94 | J/mol×K | 813.82 | Joback Calculated Property |
| Cp,gas | 722.01 | J/mol×K | 847.25 | Joback Calculated Property |
| Cp,gas | 734.08 | J/mol×K | 880.68 | Joback Calculated Property |
| Cp,gas | 745.16 | J/mol×K | 914.11 | Joback Calculated Property |
| Cp,gas | 755.25 | J/mol×K | 947.54 | Joback Calculated Property |
| Cp,gas | 764.33 | J/mol×K | 980.98 | Joback Calculated Property |
| Cp,gas | 772.42 | J/mol×K | 1014.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-chloro-6-fluorophenyl hexyl ester.
Sources
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