- InChI
- InChI=1S/C30H57F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-35-29(34)30(31,32)33/h2-28H2,1H3
- InChI Key
- DBJWKKYWNRSCGQ-UHFFFAOYSA-N
- Formula
- C30H57F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC
(=O)C(F)(F)F - Molecular Weight1
- 506.77
- Other Names
-
- Octacosyl 2,2,2-trifluoroacetate
- 1-Octacosanol, 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° | -613.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1504.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.78 | kJ/mol | Joback Calculated Property |
| log10WS | -11.91 | Crippen Calculated Property | |
| logPoct/wat | 11.254 | Crippen Calculated Property | |
| McVol | 446.310 | ml/mol | McGowan Calculated Property |
| Pc | 575.63 | kPa | Joback Calculated Property |
| Inp | [2974.70; 2974.70] |
|
|
| Inp | 2974.70 | NIST | |
| Inp | 2974.70 | NIST | |
| Tboil | 956.67 | K | Joback Calculated Property |
| Tc | 1198.66 | K | Joback Calculated Property |
| Tfus | 504.21 | K | Joback Calculated Property |
| Vc | 1.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1568.53; 1703.48] | J/mol×K | [956.67; 1198.66] |
|
| Cp,gas | 1568.53 | J/mol×K | 956.67 | Joback Calculated Property |
| Cp,gas | 1595.34 | J/mol×K | 997.00 | Joback Calculated Property |
| Cp,gas | 1620.23 | J/mol×K | 1037.33 | Joback Calculated Property |
| Cp,gas | 1643.34 | J/mol×K | 1077.66 | Joback Calculated Property |
| Cp,gas | 1664.82 | J/mol×K | 1117.99 | Joback Calculated Property |
| Cp,gas | 1684.82 | J/mol×K | 1158.32 | Joback Calculated Property |
| Cp,gas | 1703.48 | J/mol×K | 1198.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octacosyl trifluoroacetate.
Sources
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