- InChI
- InChI=1S/C29H47FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-27(31)29(5-2,6-3)28(32)34-26-23-20-19-22-25(26)30/h19-20,22-23H,4-18,21,24H2,1-3H3
- InChI Key
- MFWJPWLMTCLSKL-UHFFFAOYSA-N
- Formula
- C29H47FO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)Oc1ccccc1F - Molecular Weight1
- 478.68
- 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° | -363.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1111.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.28 | kJ/mol | Joback Calculated Property |
| log10WS | -9.53 | Crippen Calculated Property | |
| logPoct/wat | 8.562 | Crippen Calculated Property | |
| McVol | 412.360 | ml/mol | McGowan Calculated Property |
| Pc | 763.10 | kPa | Joback Calculated Property |
| Inp | [3113.00; 3113.00] |
|
|
| Inp | 3113.00 | NIST | |
| Inp | 3113.00 | NIST | |
| Tboil | 1043.20 | K | Joback Calculated Property |
| Tc | 1284.86 | K | Joback Calculated Property |
| Tfus | 602.86 | K | Joback Calculated Property |
| Vc | 1.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1439.51; 1528.29] | J/mol×K | [1043.20; 1284.86] |
|
| Cp,gas | 1439.51 | J/mol×K | 1043.20 | Joback Calculated Property |
| Cp,gas | 1458.17 | J/mol×K | 1083.48 | Joback Calculated Property |
| Cp,gas | 1475.14 | J/mol×K | 1123.75 | Joback Calculated Property |
| Cp,gas | 1490.53 | J/mol×K | 1164.03 | Joback Calculated Property |
| Cp,gas | 1504.44 | J/mol×K | 1204.30 | Joback Calculated Property |
| Cp,gas | 1516.99 | J/mol×K | 1244.58 | Joback Calculated Property |
| Cp,gas | 1528.29 | J/mol×K | 1284.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl hexadecyl ester.
Sources
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