- InChI
- InChI=1S/C15H18ClFO5/c1-2-3-4-8-21-13(18)9-20-10-14(19)22-15-11(16)6-5-7-12(15)17/h5-7H,2-4,8-10H2,1H3
- InChI Key
- OUKYKPFRLAVFGX-UHFFFAOYSA-N
- Formula
- C15H18ClFO5
- SMILES
-
CCCCCOC(=O)COCC(=O)Oc1c(F)cccc
1Cl - Molecular Weight1
- 332.75
- 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° | -611.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -973.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 3.135 | Crippen Calculated Property | |
| McVol | 233.210 | ml/mol | McGowan Calculated Property |
| Pc | 1789.39 | kPa | Joback Calculated Property |
| Inp | [2639.00; 2639.00] |
|
|
| Inp | 2639.00 | NIST | |
| Inp | 2639.00 | NIST | |
| Tboil | 790.94 | K | Joback Calculated Property |
| Tc | 991.97 | K | Joback Calculated Property |
| Tfus | 507.33 | K | Joback Calculated Property |
| Vc | 0.900 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.34; 715.69] | J/mol×K | [790.94; 991.97] |
|
| Cp,gas | 653.34 | J/mol×K | 790.94 | Joback Calculated Property |
| Cp,gas | 666.09 | J/mol×K | 824.44 | Joback Calculated Property |
| Cp,gas | 677.91 | J/mol×K | 857.95 | Joback Calculated Property |
| Cp,gas | 688.78 | J/mol×K | 891.45 | Joback Calculated Property |
| Cp,gas | 698.71 | J/mol×K | 924.96 | Joback Calculated Property |
| Cp,gas | 707.68 | J/mol×K | 958.46 | Joback Calculated Property |
| Cp,gas | 715.69 | J/mol×K | 991.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, 2-chloro-6-fluorophenyl pentyl ester.
Sources
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