- InChI
- InChI=1S/C38H73F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-43-37(42)38(39,40)41/h2-36H2,1H3
- InChI Key
- QUYZHXAAZPERTE-UHFFFAOYSA-N
- Formula
- C38H73F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCOC(=O)C(F)(F)F - Molecular Weight1
- 618.98
- Other Names
-
- Hexatriacontyl 2,2,2-trifluoroacetate
- 1-Hexatriacontanol, 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° | -546.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1669.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 98.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.59 | kJ/mol | Joback Calculated Property |
| log10WS | -15.25 | Crippen Calculated Property | |
| logPoct/wat | 14.375 | Crippen Calculated Property | |
| McVol | 559.030 | ml/mol | McGowan Calculated Property |
| Pc | 410.44 | kPa | Joback Calculated Property |
| Inp | 3776.90 | NIST | |
| Tboil | 1139.71 | K | Joback Calculated Property |
| Tc | 1552.91 | K | Joback Calculated Property |
| Tfus | 594.37 | K | Joback Calculated Property |
| Vc | 2.231 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2110.31; 2312.35] | J/mol×K | [1139.71; 1552.91] | 
|
| Cp,gas | 2110.31 | J/mol×K | 1139.71 | Joback Calculated Property |
| Cp,gas | 2151.51 | J/mol×K | 1208.58 | Joback Calculated Property |
| Cp,gas | 2188.48 | J/mol×K | 1277.44 | Joback Calculated Property |
| Cp,gas | 2222.13 | J/mol×K | 1346.31 | Joback Calculated Property |
| Cp,gas | 2253.39 | J/mol×K | 1415.18 | Joback Calculated Property |
| Cp,gas | 2283.16 | J/mol×K | 1484.04 | Joback Calculated Property |
| Cp,gas | 2312.35 | J/mol×K | 1552.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexatriacontyl trifluoroacetate.
Sources
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