- InChI
- InChI=1S/C11H13F7O2/c1-8(5-3-2-4-6-8)20-7(19)9(12,13)10(14,15)11(16,17)18/h2-6H2,1H3
- InChI Key
- KQMFUMNYSRKOTO-UHFFFAOYSA-N
- Formula
- C11H13F7O2
- SMILES
-
CC1(OC(=O)C(F)(F)C(F)(F)C(F)(F
)F)CCCCC1 - Molecular Weight1
- 310.21
- 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° | -1528.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1844.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.91 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 4.085 | Crippen Calculated Property | |
| McVol | 174.820 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | 992.00 | NIST | |
| Tboil | 532.36 | K | Joback Calculated Property |
| Tc | 711.36 | K | Joback Calculated Property |
| Tfus | 328.56 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.16; 550.36] | J/mol×K | [532.36; 711.36] | 
|
| Cp,gas | 469.16 | J/mol×K | 532.36 | Joback Calculated Property |
| Cp,gas | 485.24 | J/mol×K | 562.19 | Joback Calculated Property |
| Cp,gas | 500.17 | J/mol×K | 592.03 | Joback Calculated Property |
| Cp,gas | 514.05 | J/mol×K | 621.86 | Joback Calculated Property |
| Cp,gas | 526.97 | J/mol×K | 651.69 | Joback Calculated Property |
| Cp,gas | 539.05 | J/mol×K | 681.52 | Joback Calculated Property |
| Cp,gas | 550.36 | J/mol×K | 711.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methylcyclohexanol, heptafluorobutyrate.
Sources
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