- InChI
- InChI=1S/C17H12FNO4/c18-13-2-1-3-15(10-13)23-17(21)9-8-16(20)22-14-6-4-12(11-19)5-7-14/h1-7,10H,8-9H2
- InChI Key
- MWCYYVAWHOAGSB-UHFFFAOYSA-N
- Formula
- C17H12FNO4
- SMILES
-
N#Cc1ccc(OC(=O)CCC(=O)Oc2cccc(
F)c2)cc1 - Molecular Weight1
- 313.28
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -231.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 2.989 | Crippen Calculated Property | |
| McVol | 220.900 | ml/mol | McGowan Calculated Property |
| Pc | 2073.65 | kPa | Joback Calculated Property |
| Inp | 2532.00 | NIST | |
| Tboil | 905.61 | K | Joback Calculated Property |
| Tc | 1140.82 | K | Joback Calculated Property |
| Tfus | 569.13 | K | Joback Calculated Property |
| Vc | 0.864 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [630.86; 671.18] | J/mol×K | [905.61; 1140.82] | 
|
| Cp,gas | 630.86 | J/mol×K | 905.61 | Joback Calculated Property |
| Cp,gas | 640.38 | J/mol×K | 944.81 | Joback Calculated Property |
| Cp,gas | 648.74 | J/mol×K | 984.01 | Joback Calculated Property |
| Cp,gas | 655.99 | J/mol×K | 1023.22 | Joback Calculated Property |
| Cp,gas | 662.12 | J/mol×K | 1062.42 | Joback Calculated Property |
| Cp,gas | 667.18 | J/mol×K | 1101.62 | Joback Calculated Property |
| Cp,gas | 671.18 | J/mol×K | 1140.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 4-cyanophenyl 3-fluorophenyl ester.
Sources
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