- InChI
- InChI=1S/C32H61F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-37-31(36)32(33,34)35/h2-30H2,1H3
- InChI Key
- JDQMFLCNFDDCAA-UHFFFAOYSA-N
- Formula
- C32H61F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OC(=O)C(F)(F)F - Molecular Weight1
- 534.82
- Other Names
-
- Triacontyl 2,2,2-trifluoroacetate
- 1-Triacontanol, trifluoroacetate
- 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° | -596.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1545.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 83.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.23 | kJ/mol | Joback Calculated Property |
| log10WS | -12.74 | Crippen Calculated Property | |
| logPoct/wat | 12.035 | Crippen Calculated Property | |
| McVol | 474.490 | ml/mol | McGowan Calculated Property |
| Pc | 526.05 | kPa | Joback Calculated Property |
| Inp | [3173.70; 3173.70] |
|
|
| Inp | 3173.70 | NIST | |
| Inp | 3173.70 | NIST | |
| Tboil | 1002.43 | K | Joback Calculated Property |
| Tc | 1274.78 | K | Joback Calculated Property |
| Tfus | 526.75 | K | Joback Calculated Property |
| Vc | 1.895 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1702.09; 1848.45] | J/mol×K | [1002.43; 1274.78] |
|
| Cp,gas | 1702.09 | J/mol×K | 1002.43 | Joback Calculated Property |
| Cp,gas | 1731.60 | J/mol×K | 1047.82 | Joback Calculated Property |
| Cp,gas | 1758.77 | J/mol×K | 1093.21 | Joback Calculated Property |
| Cp,gas | 1783.82 | J/mol×K | 1138.60 | Joback Calculated Property |
| Cp,gas | 1806.97 | J/mol×K | 1184.00 | Joback Calculated Property |
| Cp,gas | 1828.44 | J/mol×K | 1229.39 | Joback Calculated Property |
| Cp,gas | 1848.45 | J/mol×K | 1274.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Triacontyl trifluoroacetate.
Sources
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