- InChI
- InChI=1S/C24H31F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-30-21(28)14-13-15-22(29)31-20-17-16-19(25)23(26)24(20)27/h16-17H,2-10,13-15,18H2,1H3
- InChI Key
- VXHVYYVPKLVYMQ-UHFFFAOYSA-N
- Formula
- C24H31F3O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc
1ccc(F)c(F)c1F - Molecular Weight1
- 440.50
- 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° | -614.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1142.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.29 | kJ/mol | Joback Calculated Property |
| log10WS | -8.13 | Crippen Calculated Property | |
| logPoct/wat | 6.257 | Crippen Calculated Property | |
| McVol | 336.850 | ml/mol | McGowan Calculated Property |
| Pc | 1027.94 | kPa | Joback Calculated Property |
| Inp | 2825.00 | NIST | |
| Tboil | 949.53 | K | Joback Calculated Property |
| Tc | 1162.50 | K | Joback Calculated Property |
| Tfus | 676.41 | K | Joback Calculated Property |
| Vc | 1.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1083.93; 1154.85] | J/mol×K | [949.53; 1162.50] | 
|
| Cp,gas | 1083.93 | J/mol×K | 949.53 | Joback Calculated Property |
| Cp,gas | 1099.03 | J/mol×K | 985.02 | Joback Calculated Property |
| Cp,gas | 1112.78 | J/mol×K | 1020.52 | Joback Calculated Property |
| Cp,gas | 1125.22 | J/mol×K | 1056.01 | Joback Calculated Property |
| Cp,gas | 1136.36 | J/mol×K | 1091.51 | Joback Calculated Property |
| Cp,gas | 1146.23 | J/mol×K | 1127.00 | Joback Calculated Property |
| Cp,gas | 1154.85 | J/mol×K | 1162.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,3,4-trifluorophenyl ester.
Sources
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