- InChI
- InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h4,6-7H,2-3H2,1H3
- InChI Key
- ZSIRHTQYODRYMQ-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CC1=CC(O)CC1
- Molecular Weight1
- 98.14
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -158.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.087 | Crippen Calculated Property | |
| McVol | 86.110 | ml/mol | McGowan Calculated Property |
| I | [1446.00; 1448.00] |
|
|
| I | 1446.00 | NIST | |
| I | 1448.00 | NIST | |
| I | 1446.00 | NIST | |
| Tboil | 427.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.12; 296.50] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.56800e+01 | |||
| Coefficient B | 6.24020e-01 | |||
| Coefficient C | -3.80640e-04 | |||
| Coefficient D | 8.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 108.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 170.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 196.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 219.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 239.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 257.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 285.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 296.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0224955; 0.0002598] | Pa×s | [242.38; 447.54] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35266e+01 | |||
| Coefficient B | 2.35887e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 242.38 | |||
| Temperature range, max. | 447.54 | |||
| η | 0.0224955 | Pa×s | 242.38 | Calculated Property |
| η | 0.0097447 | Pa×s | 265.18 | Calculated Property |
| η | 0.0048190 | Pa×s | 287.97 | Calculated Property |
| η | 0.0026425 | Pa×s | 310.77 | Calculated Property |
| η | 0.0015730 | Pa×s | 333.56 | Calculated Property |
| η | 0.0010006 | Pa×s | 356.36 | Calculated Property |
| η | 0.0006721 | Pa×s | 379.15 | Calculated Property |
| η | 0.0004723 | Pa×s | 401.95 | Calculated Property |
| η | 0.0003447 | Pa×s | 424.74 | Calculated Property |
| η | 0.0002598 | Pa×s | 447.54 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-cylopentanol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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