- InChI
- InChI=1S/C19H15F5O4/c20-15-12(16(21)18(23)19(24)17(15)22)10-28-14(26)7-6-13(25)27-9-8-11-4-2-1-3-5-11/h1-5H,6-10H2
- InChI Key
- AWKWYZBURKPZBL-UHFFFAOYSA-N
- Formula
- C19H15F5O4
- SMILES
-
O=C(CCC(=O)OCc1c(F)c(F)c(F)c(F
)c1F)OCCc1ccccc1 - Molecular Weight1
- 402.31
- 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 | 0.8859 | Relay (1.0) Calculated Property | |
| ΔfG° | -1156.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1345.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.991 | Crippen Calculated Property | |
| McVol | 254.780 | ml/mol | McGowan Calculated Property |
| Pc | 1493.04 | kPa | Joback Calculated Property |
| Inp | 2372.00 | NIST | |
| Tboil | 642.83 | K | Relay (1.0) Calculated Property |
| Tc | 842.88 | K | Relay (1.0) Calculated Property |
| Tfus | 316.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.943 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.49; 810.89] | J/mol×K | [861.31; 1063.19] | 
|
| Cp,gas | 756.49 | J/mol×K | 861.31 | Joback Calculated Property |
| Cp,gas | 768.06 | J/mol×K | 894.96 | Joback Calculated Property |
| Cp,gas | 778.61 | J/mol×K | 928.60 | Joback Calculated Property |
| Cp,gas | 788.16 | J/mol×K | 962.25 | Joback Calculated Property |
| Cp,gas | 796.72 | J/mol×K | 995.90 | Joback Calculated Property |
| Cp,gas | 804.29 | J/mol×K | 1029.55 | Joback Calculated Property |
| Cp,gas | 810.89 | J/mol×K | 1063.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, phenethyl pentafluorobenzyl ester.
Sources
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