- InChI
- InChI=1S/C20H27FO4/c1-14(2)8-7-13-24-19(22)15-9-3-4-10-16(15)20(23)25-18-12-6-5-11-17(18)21/h5-6,11-12,14-16H,3-4,7-10,13H2,1-2H3
- InChI Key
- DTRNYKHZJCXWGP-UHFFFAOYSA-N
- Formula
- C20H27FO4
- SMILES
-
CC(C)CCCOC(=O)C1CCCCC1C(=O)Oc1
ccccc1F - Molecular Weight1
- 350.42
- 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 | 0.7689 | Relay (1.0) Calculated Property | |
| ΔfG° | -428.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -991.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.517 | Crippen Calculated Property | |
| McVol | 274.690 | ml/mol | McGowan Calculated Property |
| Pc | 1485.00 | kPa | Joback Calculated Property |
| Inp | 2369.00 | NIST | |
| Tboil | 633.05 | K | Relay (1.0) Calculated Property |
| Tc | 866.33 | K | Relay (1.0) Calculated Property |
| Tfus | 329.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.986 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.63; 964.26] | J/mol×K | [854.95; 1070.48] | 
|
| Cp,gas | 884.63 | J/mol×K | 854.95 | Joback Calculated Property |
| Cp,gas | 901.59 | J/mol×K | 890.87 | Joback Calculated Property |
| Cp,gas | 917.04 | J/mol×K | 926.79 | Joback Calculated Property |
| Cp,gas | 931.01 | J/mol×K | 962.71 | Joback Calculated Property |
| Cp,gas | 943.52 | J/mol×K | 998.64 | Joback Calculated Property |
| Cp,gas | 954.59 | J/mol×K | 1034.56 | Joback Calculated Property |
| Cp,gas | 964.26 | J/mol×K | 1070.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-fluorophenyl isohexyl ester.
Sources
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