- InChI
- InChI=1S/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3/t6-,7-/m0/s1
- InChI Key
- MOISVRZIQDQVPF-OECOWPMFSA-N
- Formula
- C8H16O
- SMILES
- C[C@H]1CCC[C@H](C)C1O
- Molecular Weight1
- 128.21
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4347 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 118.590 | ml/mol | McGowan Calculated Property |
| Pc | 3246.73 | kPa | Joback Calculated Property |
| Inp | 1019.00 | NIST | |
| Tboil | 448.16 | K | Relay (1.0) Calculated Property |
| Tc | 650.80 | K | Relay (1.0) Calculated Property |
| Tfus | 294.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.10; 449.12] | 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 | -5.28200e+01 | |||
| Coefficient B | 8.66940e-01 | |||
| Coefficient C | -4.12000e-04 | |||
| Coefficient D | 4.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 249.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 290.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 327.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 359.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 387.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 412.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 432.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 449.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0327662; 0.0002294] | Pa×s | [239.64; 472.57] |
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 | -1.34843e+01 | |||
| Coefficient B | 2.41220e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 239.64 | |||
| Temperature range, max. | 472.57 | |||
| η | 0.0327662 | Pa×s | 239.64 | Calculated Property |
| η | 0.0122834 | Pa×s | 265.52 | Calculated Property |
| η | 0.0054816 | Pa×s | 291.40 | Calculated Property |
| η | 0.0027903 | Pa×s | 317.28 | Calculated Property |
| η | 0.0015727 | Pa×s | 343.16 | Calculated Property |
| η | 0.0009606 | Pa×s | 369.04 | Calculated Property |
| η | 0.0006259 | Pa×s | 394.92 | Calculated Property |
| η | 0.0004299 | Pa×s | 420.81 | Calculated Property |
| η | 0.0003084 | Pa×s | 446.69 | Calculated Property |
| η | 0.0002294 | Pa×s | 472.57 | Calculated Property |
Similar Compounds
Find more compounds similar to e,e-2,6-Dimethylcyclohexanol, (a).
Sources
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