- InChI
- InChI=1S/C10H20O/c1-3-4-9-6-5-8(2)7-10(9)11/h8-11H,3-7H2,1-2H3/t8-,9-,10+/m1/s1
- InChI Key
- VWXNPISBYOISDJ-BBBLOLIVSA-N
- Formula
- C10H20O
- SMILES
- CCCC1CCC(C)CC1O
- Molecular Weight1
- 156.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 19.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.81 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.584 | Crippen Calculated Property | |
| McVol | 146.770 | ml/mol | McGowan Calculated Property |
| Inp | [1187.00; 1187.00] |
|
|
| Inp | 1187.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Tboil | 486.76 | K | Relay (1.0) Calculated Property |
| Tc | 683.64 | K | Relay (1.0) Calculated Property |
| Tfus | 268.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [196.53; 552.30] | 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 | -5.46380e+01 | |||
| Coefficient B | 1.05694e+00 | |||
| Coefficient C | -5.20800e-04 | |||
| Coefficient D | 7.08000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 196.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 312.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 361.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 405.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 444.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 477.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 507.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 531.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 552.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0231540; 0.0002035] | Pa×s | [262.18; 501.60] |
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 | -1.36844e+01 | |||
| Coefficient B | 2.60052e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 262.18 | |||
| Temperature range, max. | 501.60 | |||
| η | 0.0231540 | Pa×s | 262.18 | Calculated Property |
| η | 0.0092857 | Pa×s | 288.78 | Calculated Property |
| η | 0.0043445 | Pa×s | 315.38 | Calculated Property |
| η | 0.0022876 | Pa×s | 341.99 | Calculated Property |
| η | 0.0013214 | Pa×s | 368.59 | Calculated Property |
| η | 0.0008218 | Pa×s | 395.19 | Calculated Property |
| η | 0.0005427 | Pa×s | 421.79 | Calculated Property |
| η | 0.0003764 | Pa×s | 448.39 | Calculated Property |
| η | 0.0002720 | Pa×s | 474.99 | Calculated Property |
| η | 0.0002035 | Pa×s | 501.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 5-methyl-2-propyl, trans, cis.
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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