- InChI
- InChI=1S/C22H41FO4/c1-4-7-8-9-10-11-12-13-14-15-16-18-26-20(24)22(5-2,6-3)21(25)27-19-17-23/h4-19H2,1-3H3
- InChI Key
- IMLQSXHGGGBCNR-UHFFFAOYSA-N
- Formula
- C22H41FO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)OCCF - Molecular Weight1
- 388.56
- 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 | 1.0448 | Relay (1.0) Calculated Property | |
| ΔfG° | -525.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1270.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.160 | Crippen Calculated Property | |
| McVol | 337.490 | ml/mol | McGowan Calculated Property |
| Pc | 938.64 | kPa | Joback Calculated Property |
| Inp | 2361.00 | NIST | |
| Tboil | 616.03 | K | Relay (1.0) Calculated Property |
| Tc | 807.36 | K | Relay (1.0) Calculated Property |
| Tfus | 291.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.253 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1099.80; 1195.99] | J/mol×K | [851.38; 1042.47] | 
|
| Cp,gas | 1099.80 | J/mol×K | 851.38 | Joback Calculated Property |
| Cp,gas | 1118.60 | J/mol×K | 883.23 | Joback Calculated Property |
| Cp,gas | 1136.24 | J/mol×K | 915.08 | Joback Calculated Property |
| Cp,gas | 1152.76 | J/mol×K | 946.92 | Joback Calculated Property |
| Cp,gas | 1168.19 | J/mol×K | 978.77 | Joback Calculated Property |
| Cp,gas | 1182.59 | J/mol×K | 1010.62 | Joback Calculated Property |
| Cp,gas | 1195.99 | J/mol×K | 1042.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluoroethyl tridecyl ester.
Sources
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