- InChI
- InChI=1S/C21H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-29-18(27)14-13-15-19(28)30-17-20(22,23)21(24,25)26/h2-10,13-17H2,1H3
- InChI Key
- DZVRZHSMSUQVAY-UHFFFAOYSA-N
- Formula
- C21H31F5O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC
C(F)(F)C(F)(F)F - Molecular Weight1
- 442.46
- 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° | -1107.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1692.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.13 | kJ/mol | Joback Calculated Property |
| log10WS | -7.11 | Crippen Calculated Property | |
| logPoct/wat | 5.975 | Crippen Calculated Property | |
| McVol | 321.880 | ml/mol | McGowan Calculated Property |
| Pc | 995.76 | kPa | Joback Calculated Property |
| Inp | 2189.00 | NIST | |
| Tboil | 831.35 | K | Joback Calculated Property |
| Tc | 1018.37 | K | Joback Calculated Property |
| Tfus | 584.64 | K | Joback Calculated Property |
| Vc | 1.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1018.47; 1101.74] | J/mol×K | [831.35; 1018.37] | 
|
| Cp,gas | 1018.47 | J/mol×K | 831.35 | Joback Calculated Property |
| Cp,gas | 1034.70 | J/mol×K | 862.52 | Joback Calculated Property |
| Cp,gas | 1049.92 | J/mol×K | 893.69 | Joback Calculated Property |
| Cp,gas | 1064.18 | J/mol×K | 924.86 | Joback Calculated Property |
| Cp,gas | 1077.54 | J/mol×K | 956.03 | Joback Calculated Property |
| Cp,gas | 1090.05 | J/mol×K | 987.20 | Joback Calculated Property |
| Cp,gas | 1101.74 | J/mol×K | 1018.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,2,3,3,3-pentafluoropropyl ester.
Sources
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