- InChI
- InChI=1S/C9H9ClF8O2/c10-3-1-2-5(19)20-4-7(13,14)9(17,18)8(15,16)6(11)12/h6H,1-4H2
- InChI Key
- NAZQCNNUKQMBEO-UHFFFAOYSA-N
- Formula
- C9H9ClF8O2
- SMILES
-
O=C(CCCCl)OCC(F)(F)C(F)(F)C(F)
(F)C(F)F - Molecular Weight1
- 336.61
- 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 | 0.6282 | Relay (... Calculated Property | |
| ΔfG° | -1773.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2107.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.63 | kJ/mol | Relay (... Calculated Property |
| IE | 10.57 | eV | Relay (... Calculated Property |
| log10WS | -4.70 | Relay (... Calculated Property | |
| logPoct/wat | 3.720 | Crippen Calculated Property | |
| McVol | 171.510 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | [1193.00; 1213.00] |
|
|
| Inp | 1193.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Tboil | 471.97 | K | Relay (... Calculated Property |
| Tc | 634.15 | K | Relay (... Calculated Property |
| Tfus | 263.10 | K | Relay (... Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.63; 486.54] | J/mol×K | [503.07; 653.32] |
|
| Cp,gas | 427.63 | J/mol×K | 503.07 | Joback Calculated Property |
| Cp,gas | 439.02 | J/mol×K | 528.11 | Joback Calculated Property |
| Cp,gas | 449.74 | J/mol×K | 553.15 | Joback Calculated Property |
| Cp,gas | 459.82 | J/mol×K | 578.20 | Joback Calculated Property |
| Cp,gas | 469.30 | J/mol×K | 603.24 | Joback Calculated Property |
| Cp,gas | 478.19 | J/mol×K | 628.28 | Joback Calculated Property |
| Cp,gas | 486.54 | J/mol×K | 653.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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