- InChI
- InChI=1S/C17H9F7O4/c18-7-3-8(19)5-9(4-7)28-12(26)2-1-11(25)27-6-10-13(20)15(22)17(24)16(23)14(10)21/h3-5H,1-2,6H2
- InChI Key
- UPICAGKAPFTBFD-UHFFFAOYSA-N
- Formula
- C17H9F7O4
- SMILES
-
O=C(CCC(=O)Oc1cc(F)cc(F)c1)OCc
1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 410.24
- 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 | 0.8803 | Relay (1.0) Calculated Property | |
| ΔfG° | -1581.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1664.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.089 | Crippen Calculated Property | |
| McVol | 230.140 | ml/mol | McGowan Calculated Property |
| Pc | 1579.71 | kPa | Joback Calculated Property |
| Inp | 2115.00 | NIST | |
| Tboil | 604.12 | K | Relay (1.0) Calculated Property |
| Tc | 816.73 | K | Relay (1.0) Calculated Property |
| Tfus | 348.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.865 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.64; 705.73] | J/mol×K | [824.05; 1017.91] | 
|
| Cp,gas | 657.64 | J/mol×K | 824.05 | Joback Calculated Property |
| Cp,gas | 667.77 | J/mol×K | 856.36 | Joback Calculated Property |
| Cp,gas | 677.06 | J/mol×K | 888.67 | Joback Calculated Property |
| Cp,gas | 685.50 | J/mol×K | 920.98 | Joback Calculated Property |
| Cp,gas | 693.10 | J/mol×K | 953.29 | Joback Calculated Property |
| Cp,gas | 699.84 | J/mol×K | 985.60 | Joback Calculated Property |
| Cp,gas | 705.73 | J/mol×K | 1017.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3,5-difluorophenyl pentafluorobenzyl ester.
Sources
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