- InChI
- InChI=1S/C20H27F3O5/c1-2-3-4-5-6-14-26-18(24)8-7-9-19(25)27-15-16-10-12-17(13-11-16)28-20(21,22)23/h10-13H,2-9,14-15H2,1H3
- InChI Key
- XTMKQMQRCLXZBD-UHFFFAOYSA-N
- Formula
- C20H27F3O5
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)OCc1ccc(O
C(F)(F)F)cc1 - Molecular Weight1
- 404.42
- 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 | 1.0251 | Relay (1.0) Calculated Property | |
| ΔfG° | -934.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1627.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.312 | Crippen Calculated Property | |
| McVol | 294.960 | ml/mol | McGowan Calculated Property |
| Pc | 1219.99 | kPa | Joback Calculated Property |
| Inp | 2374.00 | NIST | |
| Tboil | 636.08 | K | Relay (1.0) Calculated Property |
| Tc | 777.17 | K | Relay (1.0) Calculated Property |
| Tfus | 267.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.103 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [929.89; 1001.97] | J/mol×K | [858.24; 1054.16] | 
|
| Cp,gas | 929.89 | J/mol×K | 858.24 | Joback Calculated Property |
| Cp,gas | 944.59 | J/mol×K | 890.89 | Joback Calculated Property |
| Cp,gas | 958.18 | J/mol×K | 923.55 | Joback Calculated Property |
| Cp,gas | 970.68 | J/mol×K | 956.20 | Joback Calculated Property |
| Cp,gas | 982.13 | J/mol×K | 988.86 | Joback Calculated Property |
| Cp,gas | 992.55 | J/mol×K | 1021.51 | Joback Calculated Property |
| Cp,gas | 1001.97 | J/mol×K | 1054.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptyl 4-(trifluoromethoxy)benzyl ester.
Sources
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