- InChI
- InChI=1S/C29H47FO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-34-27(31)29(6-2,7-3)28(32)35-25-21-20-24(30)23-26(25)33-4/h20-21,23H,5-19,22H2,1-4H3
- InChI Key
- VBBMTMAJXSWKNZ-UHFFFAOYSA-N
- Formula
- C29H47FO5
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)
C(=O)Oc1ccc(F)cc1OC - Molecular Weight1
- 494.68
- 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° | -478.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1254.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.36 | kJ/mol | Joback Calculated Property |
| log10WS | -9.23 | Crippen Calculated Property | |
| logPoct/wat | 8.181 | Crippen Calculated Property | |
| McVol | 418.230 | ml/mol | McGowan Calculated Property |
| Pc | 749.79 | kPa | Joback Calculated Property |
| Inp | 2258.00 | NIST | |
| Tboil | 1070.60 | K | Joback Calculated Property |
| Tc | 1323.26 | K | Joback Calculated Property |
| Tfus | 637.61 | K | Joback Calculated Property |
| Vc | 1.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1467.12; 1542.55] | J/mol×K | [1070.60; 1323.26] | 
|
| Cp,gas | 1467.12 | J/mol×K | 1070.60 | Joback Calculated Property |
| Cp,gas | 1484.58 | J/mol×K | 1112.71 | Joback Calculated Property |
| Cp,gas | 1499.96 | J/mol×K | 1154.82 | Joback Calculated Property |
| Cp,gas | 1513.36 | J/mol×K | 1196.93 | Joback Calculated Property |
| Cp,gas | 1524.86 | J/mol×K | 1239.04 | Joback Calculated Property |
| Cp,gas | 1534.56 | J/mol×K | 1281.15 | Joback Calculated Property |
| Cp,gas | 1542.55 | J/mol×K | 1323.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-fluoro-2-methoxyphenyl pentadecyl ester.
Sources
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