- InChI
- InChI=1S/C16H13ClF8O4/c17-9-3-1-4-10(7-9)29-12(27)6-2-5-11(26)28-8-14(20,21)16(24,25)15(22,23)13(18)19/h1,3-4,7,13H,2,5-6,8H2
- InChI Key
- IRLSFNOKJOQTON-UHFFFAOYSA-N
- Formula
- C16H13ClF8O4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1)OCC(
F)(F)C(F)(F)C(F)(F)C(F)F - Molecular Weight1
- 456.71
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8635 | Relay (1.0) Calculated Property | |
| ΔfG° | -1845.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2330.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.130 | Crippen Calculated Property | |
| McVol | 253.820 | ml/mol | McGowan Calculated Property |
| Pc | 1394.37 | kPa | Joback Calculated Property |
| Inp | [2007.00; 2007.00] |
|
|
| Inp | 2007.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Tboil | 606.00 | K | Relay (1.0) Calculated Property |
| Tc | 780.95 | K | Relay (1.0) Calculated Property |
| Tfus | 322.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.935 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.13; 798.34] | J/mol×K | [771.18; 955.87] |
|
| Cp,gas | 743.13 | J/mol×K | 771.18 | Joback Calculated Property |
| Cp,gas | 754.27 | J/mol×K | 801.96 | Joback Calculated Property |
| Cp,gas | 764.56 | J/mol×K | 832.74 | Joback Calculated Property |
| Cp,gas | 774.06 | J/mol×K | 863.52 | Joback Calculated Property |
| Cp,gas | 782.81 | J/mol×K | 894.30 | Joback Calculated Property |
| Cp,gas | 790.89 | J/mol×K | 925.09 | Joback Calculated Property |
| Cp,gas | 798.34 | J/mol×K | 955.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-chlorophenyl ester.
Sources
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