- InChI
- InChI=1S/C10H13F5O2/c1-8(5-3-2-4-6-8)17-7(16)9(11,12)10(13,14)15/h2-6H2,1H3
- InChI Key
- XADWRGNABJATCD-UHFFFAOYSA-N
- Formula
- C10H13F5O2
- SMILES
-
CC1(OC(=O)C(F)(F)C(F)(F)F)CCCC
C1 - Molecular Weight1
- 260.20
- 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° | -1150.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1423.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.61 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.450 | Crippen Calculated Property | |
| McVol | 157.190 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | [947.00; 947.00] |
|
|
| Inp | 947.00 | NIST | |
| Inp | 947.00 | NIST | |
| Tboil | 514.17 | K | Joback Calculated Property |
| Tc | 702.02 | K | Joback Calculated Property |
| Tfus | 313.69 | K | Joback Calculated Property |
| Vc | 0.619 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.84; 483.30] | J/mol×K | [514.17; 702.02] |
|
| Cp,gas | 401.84 | J/mol×K | 514.17 | Joback Calculated Property |
| Cp,gas | 417.91 | J/mol×K | 545.48 | Joback Calculated Property |
| Cp,gas | 432.85 | J/mol×K | 576.79 | Joback Calculated Property |
| Cp,gas | 446.76 | J/mol×K | 608.09 | Joback Calculated Property |
| Cp,gas | 459.74 | J/mol×K | 639.40 | Joback Calculated Property |
| Cp,gas | 471.89 | J/mol×K | 670.71 | Joback Calculated Property |
| Cp,gas | 483.30 | J/mol×K | 702.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methylcyclohexanol, pentafluoropropionate.
Sources
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