- InChI
- InChI=1S/C18H23FO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h5-7,10,12,15-16H,3-4,8-9,11H2,1-2H3
- InChI Key
- CJXSFEYBDVHQPW-UHFFFAOYSA-N
- Formula
- C18H23FO4
- SMILES
-
CC(C)COC(=O)C1CCCCC1C(=O)Oc1cc
cc(F)c1 - Molecular Weight1
- 322.37
- 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° | -444.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 3.737 | Crippen Calculated Property | |
| McVol | 246.510 | ml/mol | McGowan Calculated Property |
| Pc | 1731.78 | kPa | Joback Calculated Property |
| Inp | 2154.00 | NIST | |
| Tboil | 809.19 | K | Joback Calculated Property |
| Tc | 1028.13 | K | Joback Calculated Property |
| Tfus | 464.61 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.51; 848.33] | J/mol×K | [809.19; 1028.13] | 
|
| Cp,gas | 767.51 | J/mol×K | 809.19 | Joback Calculated Property |
| Cp,gas | 784.56 | J/mol×K | 845.68 | Joback Calculated Property |
| Cp,gas | 800.15 | J/mol×K | 882.17 | Joback Calculated Property |
| Cp,gas | 814.31 | J/mol×K | 918.66 | Joback Calculated Property |
| Cp,gas | 827.05 | J/mol×K | 955.15 | Joback Calculated Property |
| Cp,gas | 838.38 | J/mol×K | 991.64 | Joback Calculated Property |
| Cp,gas | 848.33 | J/mol×K | 1028.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-fluorophenyl isobutyl ester.
Sources
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