- InChI
- InChI=1S/C36H69F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-41-35(40)36(37,38)39/h2-34H2,1H3
- InChI Key
- QCBQCHOKZRMGJL-UHFFFAOYSA-N
- Formula
- C36H69F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCOC(=O)C(F)(F)F - Molecular Weight1
- 590.93
- Other Names
-
- Tetratriacontyl 2,2,2-trifluoroacetate
- 1-Tetratriacontanol, 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 | 1.5109 | Relay (1.0) Calculated Property | |
| ΔfG° | -563.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1660.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 93.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 168.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.595 | Crippen Calculated Property | |
| McVol | 530.850 | ml/mol | McGowan Calculated Property |
| Pc | 444.34 | kPa | Joback Calculated Property |
| Inp | [3570.50; 3570.50] |
|
|
| Inp | 3570.50 | NIST | |
| Inp | 3570.50 | NIST | |
| Tboil | 697.52 | K | Relay (1.0) Calculated Property |
| Tc | 834.55 | K | Relay (1.0) Calculated Property |
| Tfus | 332.61 | K | Relay (1.0) Calculated Property |
| Vc | 2.062 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1973.17; 2151.23] | J/mol×K | [1093.95; 1450.37] |
|
| Cp,gas | 1973.17 | J/mol×K | 1093.95 | Joback Calculated Property |
| Cp,gas | 2009.75 | J/mol×K | 1153.35 | Joback Calculated Property |
| Cp,gas | 2042.83 | J/mol×K | 1212.76 | Joback Calculated Property |
| Cp,gas | 2072.96 | J/mol×K | 1272.16 | Joback Calculated Property |
| Cp,gas | 2100.70 | J/mol×K | 1331.56 | Joback Calculated Property |
| Cp,gas | 2126.61 | J/mol×K | 1390.97 | Joback Calculated Property |
| Cp,gas | 2151.23 | J/mol×K | 1450.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetratriacontyl trifluoroacetate.
Sources
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