- InChI
- InChI=1S/C20H29FO4/c1-4-7-8-9-12-15-24-18(22)20(5-2,6-3)19(23)25-17-14-11-10-13-16(17)21/h10-11,13-14H,4-9,12,15H2,1-3H3
- InChI Key
- MUCSPVQZPCGBHZ-UHFFFAOYSA-N
- Formula
- C20H29FO4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
ccccc1F - Molecular Weight1
- 352.44
- 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 | 0.8588 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1000.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.051 | Crippen Calculated Property | |
| McVol | 285.550 | ml/mol | McGowan Calculated Property |
| Pc | 1316.56 | kPa | Joback Calculated Property |
| Inp | 2167.00 | NIST | |
| Tboil | 606.08 | K | Relay (1.0) Calculated Property |
| Tc | 822.51 | K | Relay (1.0) Calculated Property |
| Tfus | 308.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.13; 965.34] | J/mol×K | [837.28; 1037.82] | 
|
| Cp,gas | 886.13 | J/mol×K | 837.28 | Joback Calculated Property |
| Cp,gas | 901.96 | J/mol×K | 870.70 | Joback Calculated Property |
| Cp,gas | 916.69 | J/mol×K | 904.13 | Joback Calculated Property |
| Cp,gas | 930.35 | J/mol×K | 937.55 | Joback Calculated Property |
| Cp,gas | 942.98 | J/mol×K | 970.97 | Joback Calculated Property |
| Cp,gas | 954.64 | J/mol×K | 1004.40 | Joback Calculated Property |
| Cp,gas | 965.34 | J/mol×K | 1037.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl heptyl ester.
Sources
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