- InChI
- InChI=1S/C19H22ClF5O4/c20-9-5-3-1-2-4-6-10-28-13(26)7-8-14(27)29-11-12-15(21)17(23)19(25)18(24)16(12)22/h1-11H2
- InChI Key
- YLQFBOCVIAEUSV-UHFFFAOYSA-N
- Formula
- C19H22ClF5O4
- SMILES
-
O=C(CCC(=O)OCc1c(F)c(F)c(F)c(F
)c1F)OCCCCCCCCCl - Molecular Weight1
- 444.82
- 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 | 1.0437 | Relay (1.0) Calculated Property | |
| ΔfG° | -1280.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1607.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.328 | Crippen Calculated Property | |
| McVol | 290.780 | ml/mol | McGowan Calculated Property |
| Pc | 1144.44 | kPa | Joback Calculated Property |
| Inp | [2558.00; 2558.00] |
|
|
| Inp | 2558.00 | NIST | |
| Inp | 2558.00 | NIST | |
| Tboil | 623.66 | K | Relay (1.0) Calculated Property |
| Tc | 813.83 | K | Relay (1.0) Calculated Property |
| Tfus | 322.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.079 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.10; 942.26] | J/mol×K | [872.06; 1067.87] |
|
| Cp,gas | 879.10 | J/mol×K | 872.06 | Joback Calculated Property |
| Cp,gas | 892.17 | J/mol×K | 904.70 | Joback Calculated Property |
| Cp,gas | 904.21 | J/mol×K | 937.33 | Joback Calculated Property |
| Cp,gas | 915.24 | J/mol×K | 969.97 | Joback Calculated Property |
| Cp,gas | 925.25 | J/mol×K | 1002.60 | Joback Calculated Property |
| Cp,gas | 934.26 | J/mol×K | 1035.24 | Joback Calculated Property |
| Cp,gas | 942.26 | J/mol×K | 1067.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl pentafluorobenzyl ester.
Sources
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