- InChI
- InChI=1S/C23H35FO4/c1-4-7-8-9-10-11-12-13-17-27-21(25)23(5-2,6-3)22(26)28-20-16-14-15-19(24)18-20/h14-16,18H,4-13,17H2,1-3H3
- InChI Key
- XRPIEXBLDQKNKN-UHFFFAOYSA-N
- Formula
- C23H35FO4
- SMILES
-
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)
Oc1cccc(F)c1 - Molecular Weight1
- 394.52
- 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° | -414.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -987.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.93 | kJ/mol | Joback Calculated Property |
| log10WS | -7.02 | Crippen Calculated Property | |
| logPoct/wat | 6.221 | Crippen Calculated Property | |
| McVol | 327.820 | ml/mol | McGowan Calculated Property |
| Pc | 1079.22 | kPa | Joback Calculated Property |
| Inp | [2448.00; 2448.00] |
|
|
| Inp | 2448.00 | NIST | |
| Inp | 2448.00 | NIST | |
| Tboil | 905.92 | K | Joback Calculated Property |
| Tc | 1111.68 | K | Joback Calculated Property |
| Tfus | 535.24 | K | Joback Calculated Property |
| Vc | 1.270 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1065.51; 1147.30] | J/mol×K | [905.92; 1111.68] |
|
| Cp,gas | 1065.51 | J/mol×K | 905.92 | Joback Calculated Property |
| Cp,gas | 1082.03 | J/mol×K | 940.21 | Joback Calculated Property |
| Cp,gas | 1097.32 | J/mol×K | 974.51 | Joback Calculated Property |
| Cp,gas | 1111.45 | J/mol×K | 1008.80 | Joback Calculated Property |
| Cp,gas | 1124.45 | J/mol×K | 1043.09 | Joback Calculated Property |
| Cp,gas | 1136.39 | J/mol×K | 1077.38 | Joback Calculated Property |
| Cp,gas | 1147.30 | J/mol×K | 1111.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, decyl 3-fluorophenyl ester.
Sources
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