- InChI
- InChI=1S/C12H21F3O2/c1-3-4-5-6-7-8-9-10(2)17-11(16)12(13,14)15/h10H,3-9H2,1-2H3
- InChI Key
- IYBYEHHNRLOTHL-UHFFFAOYSA-N
- Formula
- C12H21F3O2
- SMILES
- CCCCCCCCC(C)OC(=O)C(F)(F)F
- Molecular Weight1
- 254.29
- 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° | -767.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1138.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.48 | Crippen Calculated Property | |
| logPoct/wat | 4.231 | Crippen Calculated Property | |
| McVol | 192.690 | ml/mol | McGowan Calculated Property |
| Pc | 1690.72 | kPa | Joback Calculated Property |
| Inp | [1192.20; 1192.20] |
|
|
| Inp | 1192.20 | NIST | |
| Inp | 1192.20 | NIST | |
| Tboil | 544.39 | K | Joback Calculated Property |
| Tc | 704.83 | K | Joback Calculated Property |
| Tfus | 286.35 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.72; 571.85] | J/mol×K | [544.39; 704.83] |
|
| Cp,gas | 491.72 | J/mol×K | 544.39 | Joback Calculated Property |
| Cp,gas | 506.64 | J/mol×K | 571.13 | Joback Calculated Property |
| Cp,gas | 520.92 | J/mol×K | 597.87 | Joback Calculated Property |
| Cp,gas | 534.56 | J/mol×K | 624.61 | Joback Calculated Property |
| Cp,gas | 547.58 | J/mol×K | 651.35 | Joback Calculated Property |
| Cp,gas | 560.01 | J/mol×K | 678.09 | Joback Calculated Property |
| Cp,gas | 571.85 | J/mol×K | 704.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Decanol, trifluoroacetate.
Sources
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