- InChI
- InChI=1S/C21H39FO4/c1-4-7-8-9-10-11-12-13-14-15-17-25-19(23)21(5-2,6-3)20(24)26-18-16-22/h4-18H2,1-3H3
- InChI Key
- ODTKMUXKPSWKQP-UHFFFAOYSA-N
- Formula
- C21H39FO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)OCCF - Molecular Weight1
- 374.53
- 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 | 1.0092 | Relay (1.0) Calculated Property | |
| ΔfG° | -533.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1250.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.770 | Crippen Calculated Property | |
| McVol | 323.400 | ml/mol | McGowan Calculated Property |
| Pc | 996.39 | kPa | Joback Calculated Property |
| Inp | 2255.00 | NIST | |
| Tboil | 608.69 | K | Relay (1.0) Calculated Property |
| Tc | 799.68 | K | Relay (1.0) Calculated Property |
| Tfus | 287.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.198 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1038.34; 1132.74] | J/mol×K | [828.50; 1015.38] | 
|
| Cp,gas | 1038.34 | J/mol×K | 828.50 | Joback Calculated Property |
| Cp,gas | 1056.68 | J/mol×K | 859.65 | Joback Calculated Property |
| Cp,gas | 1073.93 | J/mol×K | 890.79 | Joback Calculated Property |
| Cp,gas | 1090.13 | J/mol×K | 921.94 | Joback Calculated Property |
| Cp,gas | 1105.31 | J/mol×K | 953.09 | Joback Calculated Property |
| Cp,gas | 1119.50 | J/mol×K | 984.24 | Joback Calculated Property |
| Cp,gas | 1132.74 | J/mol×K | 1015.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, dodecyl 2-fluoroethyl ester.
Sources
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