- InChI
- InChI=1S/C40H77F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-45-39(44)40(41,42)43/h2-38H2,1H3
- InChI Key
- ADEIGZUMFHUKED-UHFFFAOYSA-N
- Formula
- C40H77F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCOC(=O)C(F)(F)F - Molecular Weight1
- 647.03
- Other Names
-
- Octatriacontyl 2,2,2-trifluoroacetate
- 1-Octatriacontanol, trifluoroacetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.6509 | Relay (1.0) Calculated Property | |
| ΔfG° | -529.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1738.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 103.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 187.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.155 | Crippen Calculated Property | |
| McVol | 587.210 | ml/mol | McGowan Calculated Property |
| Pc | 380.28 | kPa | Joback Calculated Property |
| Inp | [3975.40; 3975.40] |
|
|
| Inp | 3975.40 | NIST | |
| Inp | 3975.40 | NIST | |
| Tboil | 723.04 | K | Relay (1.0) Calculated Property |
| Tc | 857.79 | K | Relay (1.0) Calculated Property |
| Tfus | 338.49 | K | Relay (1.0) Calculated Property |
| Vc | 2.279 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2248.37; 2485.17] | J/mol×K | [1185.47; 1667.97] |
|
| Cp,gas | 2248.37 | J/mol×K | 1185.47 | Joback Calculated Property |
| Cp,gas | 2295.16 | J/mol×K | 1265.89 | Joback Calculated Property |
| Cp,gas | 2336.98 | J/mol×K | 1346.30 | Joback Calculated Property |
| Cp,gas | 2375.37 | J/mol×K | 1426.72 | Joback Calculated Property |
| Cp,gas | 2411.84 | J/mol×K | 1507.14 | Joback Calculated Property |
| Cp,gas | 2447.94 | J/mol×K | 1587.55 | Joback Calculated Property |
| Cp,gas | 2485.17 | J/mol×K | 1667.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octatriacontyl trifluoroacetate.
Sources
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