- InChI
- InChI=1S/C18H14F4O4/c19-13-3-1-11(7-15(13)21)9-25-17(23)5-6-18(24)26-10-12-2-4-14(20)16(22)8-12/h1-4,7-8H,5-6,9-10H2
- InChI Key
- VRKNQIUJMKCTIJ-UHFFFAOYSA-N
- Formula
- C18H14F4O4
- SMILES
-
O=C(CCC(=O)OCc1ccc(F)c(F)c1)OC
c1ccc(F)c(F)c1 - Molecular Weight1
- 370.30
- 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 | 0.8498 | Relay (1.0) Calculated Property | |
| ΔfG° | -960.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1227.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.810 | Crippen Calculated Property | |
| McVol | 238.920 | ml/mol | McGowan Calculated Property |
| Pc | 1690.72 | kPa | Joback Calculated Property |
| Inp | [2321.00; 2321.00] |
|
|
| Inp | 2321.00 | NIST | |
| Inp | 2321.00 | NIST | |
| Tboil | 623.41 | K | Relay (1.0) Calculated Property |
| Tc | 847.89 | K | Relay (1.0) Calculated Property |
| Tfus | 329.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [694.39; 749.97] | J/mol×K | [834.18; 1038.95] |
|
| Cp,gas | 694.39 | J/mol×K | 834.18 | Joback Calculated Property |
| Cp,gas | 706.11 | J/mol×K | 868.31 | Joback Calculated Property |
| Cp,gas | 716.82 | J/mol×K | 902.44 | Joback Calculated Property |
| Cp,gas | 726.56 | J/mol×K | 936.57 | Joback Calculated Property |
| Cp,gas | 735.32 | J/mol×K | 970.69 | Joback Calculated Property |
| Cp,gas | 743.12 | J/mol×K | 1004.82 | Joback Calculated Property |
| Cp,gas | 749.97 | J/mol×K | 1038.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(3,4-difluorobenzyl) ester.
Sources
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