- InChI
- InChI=1S/C9H13F3O2/c10-9(11,12)8(13)14-7-5-3-1-2-4-6-7/h7H,1-6H2
- InChI Key
- VKBULDZQMPQVFH-UHFFFAOYSA-N
- Formula
- C9H13F3O2
- SMILES
- O=C(OC1CCCCCC1)C(F)(F)F
- 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° | -778.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1022.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.64 | 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 | 2707.03 | kPa | Joback Calculated Property |
| Inp | 1019.00 | NIST | |
| Tboil | 500.01 | K | Joback Calculated Property |
| Tc | 697.11 | K | Joback Calculated Property |
| Tfus | 271.40 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.93; 423.03] | J/mol×K | [500.01; 697.11] | 
|
| Cp,gas | 335.93 | J/mol×K | 500.01 | Joback Calculated Property |
| Cp,gas | 352.70 | J/mol×K | 532.86 | Joback Calculated Property |
| Cp,gas | 368.54 | J/mol×K | 565.71 | Joback Calculated Property |
| Cp,gas | 383.47 | J/mol×K | 598.56 | Joback Calculated Property |
| Cp,gas | 397.52 | J/mol×K | 631.41 | Joback Calculated Property |
| Cp,gas | 410.69 | J/mol×K | 664.26 | Joback Calculated Property |
| Cp,gas | 423.03 | J/mol×K | 697.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptanol, trifluoroacetate.
Sources
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