- InChI
- InChI=1S/C27H47F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-36-24(35)25(28,29)26(30,31)27(32,33)34/h2-23H2,1H3
- InChI Key
- QBPVDTZBRPTPJO-UHFFFAOYSA-N
- Formula
- C27H47F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCOC(=O)C
(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 536.65
- Other Names
-
- Tricosyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Tricosanol, heptafluorobutyrate
- Tricosyl perfluorobutyrate
- 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° | -1412.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2244.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.25 | kJ/mol | Joback Calculated Property |
| log10WS | -11.28 | Crippen Calculated Property | |
| logPoct/wat | 10.575 | Crippen Calculated Property | |
| McVol | 411.120 | ml/mol | McGowan Calculated Property |
| Pc | 618.18 | kPa | Joback Calculated Property |
| Inp | [2506.90; 2506.90] |
|
|
| Inp | 2506.90 | NIST | |
| Inp | 2506.90 | NIST | |
| Tboil | 878.65 | K | Joback Calculated Property |
| Tc | 1089.05 | K | Joback Calculated Property |
| Tfus | 477.60 | K | Joback Calculated Property |
| Vc | 1.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1399.54; 1519.54] | J/mol×K | [878.65; 1089.05] |
|
| Cp,gas | 1399.54 | J/mol×K | 878.65 | Joback Calculated Property |
| Cp,gas | 1422.62 | J/mol×K | 913.72 | Joback Calculated Property |
| Cp,gas | 1444.30 | J/mol×K | 948.78 | Joback Calculated Property |
| Cp,gas | 1464.70 | J/mol×K | 983.85 | Joback Calculated Property |
| Cp,gas | 1483.95 | J/mol×K | 1018.91 | Joback Calculated Property |
| Cp,gas | 1502.19 | J/mol×K | 1053.98 | Joback Calculated Property |
| Cp,gas | 1519.54 | J/mol×K | 1089.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tricosyl heptafluorobutyrate.
Sources
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