- InChI
- InChI=1S/C21H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20(25)21(22,23)24/h2-19H2,1H3
- InChI Key
- WEKMLKHOURBVLB-UHFFFAOYSA-N
- Formula
- C21H39F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCOC(=O)C(F)(
F)F - Molecular Weight1
- 380.53
- Other Names
-
- Nonadecyl 2,2,2-trifluoroacetate
- 1-Nonadecanol, 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 | 0.9851 | Relay (1.0) Calculated Property | |
| ΔfG° | -689.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1367.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.744 | Crippen Calculated Property | |
| McVol | 319.500 | ml/mol | McGowan Calculated Property |
| Pc | 916.05 | kPa | Joback Calculated Property |
| Inp | [2100.40; 2100.40] |
|
|
| Inp | 2100.40 | NIST | |
| Inp | 2100.40 | NIST | |
| Tboil | 585.00 | K | Relay (1.0) Calculated Property |
| Tc | 714.63 | K | Relay (1.0) Calculated Property |
| Tfus | 298.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.235 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [993.22; 1095.14] | J/mol×K | [750.75; 920.39] |
|
| Cp,gas | 993.22 | J/mol×K | 750.75 | Joback Calculated Property |
| Cp,gas | 1012.46 | J/mol×K | 779.02 | Joback Calculated Property |
| Cp,gas | 1030.75 | J/mol×K | 807.30 | Joback Calculated Property |
| Cp,gas | 1048.13 | J/mol×K | 835.57 | Joback Calculated Property |
| Cp,gas | 1064.63 | J/mol×K | 863.84 | Joback Calculated Property |
| Cp,gas | 1080.29 | J/mol×K | 892.11 | Joback Calculated Property |
| Cp,gas | 1095.14 | J/mol×K | 920.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonadecyl trifluoroacetate.
Sources
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