- InChI
- InChI=1S/C26H41FO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-22-18-17-21(27)20-23(22)30-4/h17-18,20H,5-16,19H2,1-4H3
- InChI Key
- BLLXRVMTUQFLRC-UHFFFAOYSA-N
- Formula
- C26H41FO5
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)Oc1ccc(F)cc1OC - Molecular Weight1
- 452.60
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1446 | Relay (1.0) Calculated Property | |
| ΔfG° | -503.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1258.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.010 | Crippen Calculated Property | |
| McVol | 375.960 | ml/mol | McGowan Calculated Property |
| Pc | 883.67 | kPa | Joback Calculated Property |
| Inp | 2856.00 | NIST | |
| Tboil | 669.17 | K | Relay (1.0) Calculated Property |
| Tc | 878.97 | K | Relay (1.0) Calculated Property |
| Tfus | 336.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.380 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1279.07; 1354.80] | J/mol×K | [1001.96; 1228.15] | 
|
| Cp,gas | 1279.07 | J/mol×K | 1001.96 | Joback Calculated Property |
| Cp,gas | 1295.62 | J/mol×K | 1039.66 | Joback Calculated Property |
| Cp,gas | 1310.53 | J/mol×K | 1077.36 | Joback Calculated Property |
| Cp,gas | 1323.85 | J/mol×K | 1115.06 | Joback Calculated Property |
| Cp,gas | 1335.63 | J/mol×K | 1152.76 | Joback Calculated Property |
| Cp,gas | 1345.92 | J/mol×K | 1190.45 | Joback Calculated Property |
| Cp,gas | 1354.80 | J/mol×K | 1228.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, dodecyl 4-fluoro-2-methoxyphenyl ester.
Sources
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