- InChI
- InChI=1S/C28H41F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-26(34)28(2,3)27(35)37-25-23(32)21(30)20(29)22(31)24(25)33/h4-19H2,1-3H3
- InChI Key
- ITAFBXZUMOKTAB-UHFFFAOYSA-N
- Formula
- C28H41F5O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 536.61
- 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° | -1189.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1920.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.44 | kJ/mol | Joback Calculated Property |
| log10WS | -10.44 | Crippen Calculated Property | |
| logPoct/wat | 8.728 | Crippen Calculated Property | |
| McVol | 405.350 | ml/mol | McGowan Calculated Property |
| Pc | 705.83 | kPa | Joback Calculated Property |
| Inp | [2789.00; 2789.00] |
|
|
| Inp | 2789.00 | NIST | |
| Inp | 2789.00 | NIST | |
| Tboil | 1037.32 | K | Joback Calculated Property |
| Tc | 1292.68 | K | Joback Calculated Property |
| Tfus | 644.03 | K | Joback Calculated Property |
| Vc | 1.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1399.68; 1480.30] | J/mol×K | [1037.32; 1292.68] |
|
| Cp,gas | 1399.68 | J/mol×K | 1037.32 | Joback Calculated Property |
| Cp,gas | 1417.86 | J/mol×K | 1079.88 | Joback Calculated Property |
| Cp,gas | 1434.03 | J/mol×K | 1122.44 | Joback Calculated Property |
| Cp,gas | 1448.26 | J/mol×K | 1165.00 | Joback Calculated Property |
| Cp,gas | 1460.66 | J/mol×K | 1207.56 | Joback Calculated Property |
| Cp,gas | 1471.31 | J/mol×K | 1250.12 | Joback Calculated Property |
| Cp,gas | 1480.30 | J/mol×K | 1292.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl pentafluorophenyl ester.
Sources
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