- InChI
- InChI=1S/C19H19FO5/c1-13(2)23-16-8-3-4-9-17(16)25-19(22)11-10-18(21)24-15-7-5-6-14(20)12-15/h3-9,12-13H,10-11H2,1-2H3
- InChI Key
- XKURYMYMMQLGFH-UHFFFAOYSA-N
- Formula
- C19H19FO5
- SMILES
-
CC(C)Oc1ccccc1OC(=O)CCC(=O)Oc1
cccc(F)c1 - Molecular Weight1
- 346.35
- 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 | 0.8546 | Relay (1.0) Calculated Property | |
| ΔfG° | -455.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -932.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.904 | Crippen Calculated Property | |
| McVol | 253.570 | ml/mol | McGowan Calculated Property |
| Pc | 1777.34 | kPa | Joback Calculated Property |
| Inp | 2454.00 | NIST | |
| Tboil | 640.17 | K | Relay (1.0) Calculated Property |
| Tc | 881.47 | K | Relay (1.0) Calculated Property |
| Tfus | 351.31 | 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 | [758.06; 816.35] | J/mol×K | [871.27; 1092.83] | 
|
| Cp,gas | 758.06 | J/mol×K | 871.27 | Joback Calculated Property |
| Cp,gas | 771.02 | J/mol×K | 908.20 | Joback Calculated Property |
| Cp,gas | 782.67 | J/mol×K | 945.12 | Joback Calculated Property |
| Cp,gas | 793.01 | J/mol×K | 982.05 | Joback Calculated Property |
| Cp,gas | 802.06 | J/mol×K | 1018.97 | Joback Calculated Property |
| Cp,gas | 809.84 | J/mol×K | 1055.90 | Joback Calculated Property |
| Cp,gas | 816.35 | J/mol×K | 1092.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-isopropoxyphenyl 3-fluorophenyl ester.
Sources
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