- InChI
- InChI=1S/C29H55F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-34-28(33)29(30,31)32/h2-27H2,1H3
- InChI Key
- VVPLBTYMPDZWEY-UHFFFAOYSA-N
- Formula
- C29H55F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(
=O)C(F)(F)F - Molecular Weight1
- 492.74
- Other Names
-
- Heptacosyl 2,2,2-trifluoroacetate
- 1-Heptacosanol, 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° | -622.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1483.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.56 | kJ/mol | Joback Calculated Property |
| log10WS | -11.49 | Crippen Calculated Property | |
| logPoct/wat | 10.864 | Crippen Calculated Property | |
| McVol | 432.220 | ml/mol | McGowan Calculated Property |
| Pc | 603.09 | kPa | Joback Calculated Property |
| Inp | [2878.20; 2878.20] |
|
|
| Inp | 2878.20 | NIST | |
| Inp | 2878.20 | NIST | |
| Tboil | 933.79 | K | Joback Calculated Property |
| Tc | 1162.98 | K | Joback Calculated Property |
| Tfus | 492.94 | K | Joback Calculated Property |
| Vc | 1.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1502.36; 1632.33] | J/mol×K | [933.79; 1162.98] |
|
| Cp,gas | 1502.36 | J/mol×K | 933.79 | Joback Calculated Property |
| Cp,gas | 1527.99 | J/mol×K | 971.99 | Joback Calculated Property |
| Cp,gas | 1551.87 | J/mol×K | 1010.19 | Joback Calculated Property |
| Cp,gas | 1574.13 | J/mol×K | 1048.38 | Joback Calculated Property |
| Cp,gas | 1594.87 | J/mol×K | 1086.58 | Joback Calculated Property |
| Cp,gas | 1614.23 | J/mol×K | 1124.78 | Joback Calculated Property |
| Cp,gas | 1632.33 | J/mol×K | 1162.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosyl trifluoroacetate.
Sources
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