- InChI
- InChI=1S/C21H31FO4/c1-4-7-8-9-10-13-16-25-19(23)21(5-2,6-3)20(24)26-18-15-12-11-14-17(18)22/h11-12,14-15H,4-10,13,16H2,1-3H3
- InChI Key
- VVOOXCSQTAHHDS-UHFFFAOYSA-N
- Formula
- C21H31FO4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccccc1F - Molecular Weight1
- 366.47
- 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° | -431.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -946.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.48 | kJ/mol | Joback Calculated Property |
| log10WS | -6.18 | Crippen Calculated Property | |
| logPoct/wat | 5.441 | Crippen Calculated Property | |
| McVol | 299.640 | ml/mol | McGowan Calculated Property |
| Pc | 1229.42 | kPa | Joback Calculated Property |
| Inp | [2267.00; 2267.00] |
|
|
| Inp | 2267.00 | NIST | |
| Inp | 2267.00 | NIST | |
| Tboil | 860.16 | K | Joback Calculated Property |
| Tc | 1061.67 | K | Joback Calculated Property |
| Tfus | 512.70 | K | Joback Calculated Property |
| Vc | 1.159 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.22; 1025.30] | J/mol×K | [860.16; 1061.67] |
|
| Cp,gas | 945.22 | J/mol×K | 860.16 | Joback Calculated Property |
| Cp,gas | 961.27 | J/mol×K | 893.74 | Joback Calculated Property |
| Cp,gas | 976.18 | J/mol×K | 927.33 | Joback Calculated Property |
| Cp,gas | 989.99 | J/mol×K | 960.91 | Joback Calculated Property |
| Cp,gas | 1002.76 | J/mol×K | 994.50 | Joback Calculated Property |
| Cp,gas | 1014.51 | J/mol×K | 1028.08 | Joback Calculated Property |
| Cp,gas | 1025.30 | J/mol×K | 1061.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl octyl ester.
Sources
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