- InChI
- InChI=1S/C26H39F3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-32-24(30)26(2,3)25(31)33-21-18-17-20(27)22(28)23(21)29/h17-18H,4-16,19H2,1-3H3
- InChI Key
- QPVHAROMZFTIIM-UHFFFAOYSA-N
- Formula
- C26H39F3O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(C)(C)C(
=O)Oc1ccc(F)c(F)c1F - Molecular Weight1
- 472.58
- 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 | 1.1520 | Relay (1.0) Calculated Property | |
| ΔfG° | -797.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1454.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.670 | Crippen Calculated Property | |
| McVol | 373.630 | ml/mol | McGowan Calculated Property |
| Pc | 839.19 | kPa | Joback Calculated Property |
| Inp | 2725.00 | NIST | |
| Tboil | 643.90 | K | Relay (1.0) Calculated Property |
| Tc | 844.87 | K | Relay (1.0) Calculated Property |
| Tfus | 310.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1262.80; 1344.31] | J/mol×K | [983.06; 1206.89] | 
|
| Cp,gas | 1262.80 | J/mol×K | 983.06 | Joback Calculated Property |
| Cp,gas | 1279.92 | J/mol×K | 1020.36 | Joback Calculated Property |
| Cp,gas | 1295.54 | J/mol×K | 1057.67 | Joback Calculated Property |
| Cp,gas | 1309.72 | J/mol×K | 1094.97 | Joback Calculated Property |
| Cp,gas | 1322.54 | J/mol×K | 1132.28 | Joback Calculated Property |
| Cp,gas | 1334.04 | J/mol×K | 1169.58 | Joback Calculated Property |
| Cp,gas | 1344.31 | J/mol×K | 1206.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, pentadecyl 2,3,4-trifluorophenyl ester.
Sources
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