- InChI
- InChI=1S/C18H17FO4/c1-12-8-13(2)10-16(9-12)23-18(21)7-6-17(20)22-15-5-3-4-14(19)11-15/h3-5,8-11H,6-7H2,1-2H3
- InChI Key
- NAXJMCBACSJEKH-UHFFFAOYSA-N
- Formula
- C18H17FO4
- SMILES
-
Cc1cc(C)cc(OC(=O)CCC(=O)Oc2ccc
c(F)c2)c1 - Molecular Weight1
- 316.32
- 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° | -366.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 3.734 | Crippen Calculated Property | |
| McVol | 233.610 | ml/mol | McGowan Calculated Property |
| Pc | 1920.30 | kPa | Joback Calculated Property |
| Inp | 2361.00 | NIST | |
| Tboil | 831.39 | K | Joback Calculated Property |
| Tc | 1053.79 | K | Joback Calculated Property |
| Tfus | 527.93 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.21; 735.19] | J/mol×K | [831.39; 1053.79] | 
|
| Cp,gas | 673.21 | J/mol×K | 831.39 | Joback Calculated Property |
| Cp,gas | 686.40 | J/mol×K | 868.46 | Joback Calculated Property |
| Cp,gas | 698.42 | J/mol×K | 905.52 | Joback Calculated Property |
| Cp,gas | 709.29 | J/mol×K | 942.59 | Joback Calculated Property |
| Cp,gas | 719.03 | J/mol×K | 979.66 | Joback Calculated Property |
| Cp,gas | 727.66 | J/mol×K | 1016.73 | Joback Calculated Property |
| Cp,gas | 735.19 | J/mol×K | 1053.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3,5-dimethylphenyl 3-fluorophenyl ester.
Sources
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