- InChI
- InChI=1S/C30H47F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-36-27(34)23-20-24-28(35)37-29(30(31,32)33)26-21-17-16-18-22-26/h16-18,21-22,29H,2-15,19-20,23-25H2,1H3
- InChI Key
- RRKVERBHHBSYRH-UHFFFAOYSA-N
- Formula
- C30H47F3O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O
)OC(c1ccccc1)C(F)(F)F - Molecular Weight1
- 528.69
- 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 | 1.2758 | Relay (1.0) Calculated Property | |
| ΔfG° | -737.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1673.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.418 | Crippen Calculated Property | |
| McVol | 429.990 | ml/mol | McGowan Calculated Property |
| Pc | 698.76 | kPa | Joback Calculated Property |
| Inp | 3301.00 | NIST | |
| Tboil | 694.37 | K | Relay (1.0) Calculated Property |
| Tc | 875.99 | K | Relay (1.0) Calculated Property |
| Tfus | 318.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.595 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1517.09; 1609.48] | J/mol×K | [1059.20; 1316.98] | 
|
| Cp,gas | 1517.09 | J/mol×K | 1059.20 | Joback Calculated Property |
| Cp,gas | 1536.64 | J/mol×K | 1102.16 | Joback Calculated Property |
| Cp,gas | 1554.32 | J/mol×K | 1145.13 | Joback Calculated Property |
| Cp,gas | 1570.29 | J/mol×K | 1188.09 | Joback Calculated Property |
| Cp,gas | 1584.70 | J/mol×K | 1231.06 | Joback Calculated Property |
| Cp,gas | 1597.71 | J/mol×K | 1274.02 | Joback Calculated Property |
| Cp,gas | 1609.48 | J/mol×K | 1316.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptadecyl 1-phenyl-2,2,2-trifluoroethyl ester.
Sources
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