- InChI
- InChI=1S/C21H31FO5/c1-5-8-9-10-11-14-26-19(23)21(6-2,7-3)20(24)27-17-13-12-16(22)15-18(17)25-4/h12-13,15H,5-11,14H2,1-4H3
- InChI Key
- NOZNEOOMOQEIBJ-UHFFFAOYSA-N
- Formula
- C21H31FO5
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
ccc(F)cc1OC - Molecular Weight1
- 382.47
- 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° | -545.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1089.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.55 | kJ/mol | Joback Calculated Property |
| log10WS | -5.88 | Crippen Calculated Property | |
| logPoct/wat | 5.060 | Crippen Calculated Property | |
| McVol | 305.510 | ml/mol | McGowan Calculated Property |
| Pc | 1202.29 | kPa | Joback Calculated Property |
| Inp | 2346.00 | NIST | |
| Tboil | 887.56 | K | Joback Calculated Property |
| Tc | 1091.96 | K | Joback Calculated Property |
| Tfus | 547.45 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [973.84; 1048.59] | J/mol×K | [887.56; 1091.96] | 
|
| Cp,gas | 973.84 | J/mol×K | 887.56 | Joback Calculated Property |
| Cp,gas | 989.29 | J/mol×K | 921.63 | Joback Calculated Property |
| Cp,gas | 1003.51 | J/mol×K | 955.69 | Joback Calculated Property |
| Cp,gas | 1016.53 | J/mol×K | 989.76 | Joback Calculated Property |
| Cp,gas | 1028.36 | J/mol×K | 1023.83 | Joback Calculated Property |
| Cp,gas | 1039.04 | J/mol×K | 1057.90 | Joback Calculated Property |
| Cp,gas | 1048.59 | J/mol×K | 1091.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-fluoro-2-methoxyphenyl heptyl ester.
Sources
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