- InChI
- InChI=1S/C17H14F2O4/c18-12-4-1-6-14(10-12)22-16(20)8-3-9-17(21)23-15-7-2-5-13(19)11-15/h1-2,4-7,10-11H,3,8-9H2
- InChI Key
- VRDCLTDCFLVVNE-UHFFFAOYSA-N
- Formula
- C17H14F2O4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(F)c1)Oc1cc
cc(F)c1 - Molecular Weight1
- 320.29
- 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 | 0.8182 | Relay (1.0) Calculated Property | |
| ΔfG° | -559.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.646 | Crippen Calculated Property | |
| McVol | 221.290 | ml/mol | McGowan Calculated Property |
| Pc | 2036.39 | kPa | Joback Calculated Property |
| Inp | [2328.00; 2328.00] |
|
|
| Inp | 2328.00 | NIST | |
| Inp | 2328.00 | NIST | |
| Tboil | 632.32 | K | Relay (1.0) Calculated Property |
| Tc | 870.84 | K | Relay (1.0) Calculated Property |
| Tfus | 347.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.78; 686.27] | J/mol×K | [802.80; 1019.43] |
|
| Cp,gas | 626.78 | J/mol×K | 802.80 | Joback Calculated Property |
| Cp,gas | 639.31 | J/mol×K | 838.91 | Joback Calculated Property |
| Cp,gas | 650.76 | J/mol×K | 875.01 | Joback Calculated Property |
| Cp,gas | 661.16 | J/mol×K | 911.12 | Joback Calculated Property |
| Cp,gas | 670.54 | J/mol×K | 947.22 | Joback Calculated Property |
| Cp,gas | 678.90 | J/mol×K | 983.33 | Joback Calculated Property |
| Cp,gas | 686.27 | J/mol×K | 1019.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(3-fluorophenyl) ester.
Sources
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