- InChI
- InChI=1S/C25H39FO5/c1-5-8-9-10-11-12-13-14-15-18-30-23(27)25(6-2,7-3)24(28)31-21-17-16-20(26)19-22(21)29-4/h16-17,19H,5-15,18H2,1-4H3
- InChI Key
- VBMMCBUSKLAGPV-UHFFFAOYSA-N
- Formula
- C25H39FO5
- SMILES
-
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O
)Oc1ccc(F)cc1OC - Molecular Weight1
- 438.57
- 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° | -512.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1172.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.45 | kJ/mol | Joback Calculated Property |
| log10WS | -7.56 | Crippen Calculated Property | |
| logPoct/wat | 6.620 | Crippen Calculated Property | |
| McVol | 361.870 | ml/mol | McGowan Calculated Property |
| Pc | 936.35 | kPa | Joback Calculated Property |
| Inp | 2758.00 | NIST | |
| Tboil | 979.08 | K | Joback Calculated Property |
| Tc | 1198.89 | K | Joback Calculated Property |
| Tfus | 592.53 | K | Joback Calculated Property |
| Vc | 1.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1217.07; 1292.73] | J/mol×K | [979.08; 1198.89] | 
|
| Cp,gas | 1217.07 | J/mol×K | 979.08 | Joback Calculated Property |
| Cp,gas | 1233.37 | J/mol×K | 1015.72 | Joback Calculated Property |
| Cp,gas | 1248.13 | J/mol×K | 1052.35 | Joback Calculated Property |
| Cp,gas | 1261.40 | J/mol×K | 1088.99 | Joback Calculated Property |
| Cp,gas | 1273.23 | J/mol×K | 1125.62 | Joback Calculated Property |
| Cp,gas | 1283.66 | J/mol×K | 1162.26 | Joback Calculated Property |
| Cp,gas | 1292.73 | J/mol×K | 1198.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-fluoro-2-methoxyphenyl undecyl ester.
Sources
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