- InChI
- InChI=1S/C9H13F3O2/c1-8(5-3-2-4-6-8)14-7(13)9(10,11)12/h2-6H2,1H3
- InChI Key
- XHWQUVQVTFUQSG-UHFFFAOYSA-N
- Formula
- C9H13F3O2
- SMILES
- CC1(OC(=O)C(F)(F)F)CCCCC1
- Molecular Weight1
- 210.19
- 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° | -771.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.815 | Crippen Calculated Property | |
| McVol | 139.560 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Inp | 928.00 | NIST | |
| Tboil | 495.98 | K | Joback Calculated Property |
| Tc | 693.88 | K | Joback Calculated Property |
| Tfus | 298.82 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.06; 416.98] | J/mol×K | [495.98; 693.88] | 
|
| Cp,gas | 336.06 | J/mol×K | 495.98 | Joback Calculated Property |
| Cp,gas | 351.91 | J/mol×K | 528.96 | Joback Calculated Property |
| Cp,gas | 366.69 | J/mol×K | 561.95 | Joback Calculated Property |
| Cp,gas | 380.49 | J/mol×K | 594.93 | Joback Calculated Property |
| Cp,gas | 393.42 | J/mol×K | 627.91 | Joback Calculated Property |
| Cp,gas | 405.55 | J/mol×K | 660.90 | Joback Calculated Property |
| Cp,gas | 416.98 | J/mol×K | 693.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methylcyclohexanol, trifluoroacetate.
Sources
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