- InChI
- InChI=1S/C10H20O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-11H,1,6-7H2,2-4H3
- InChI Key
- GXRZVRGDJQMNEL-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- C=CC(C)CC(O)CC(C)C
- Molecular Weight1
- 156.27
- CAS
- 94201-76-0
- Other Names
-
- 2,6-dimethyloct-7-en-4-ol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 | 0.5743 | Relay (1.0) Calculated Property | |
| ΔfusH° | 13.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.606 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | [1082.00; 1082.00] |
|
|
| Inp | 1082.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Tboil | 460.22 | K | Relay (1.0) Calculated Property |
| Tc | 634.01 | K | Relay (1.0) Calculated Property |
| Tfus | 262.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.548 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [219.37; 527.01] | 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 | -8.94800e+00 | |||
| Coefficient B | 9.85560e-01 | |||
| Coefficient C | -5.83100e-04 | |||
| Coefficient D | 1.33500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 272.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 320.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 362.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 399.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 432.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 461.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 486.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 507.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 527.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3552828; 0.0001673] | Pa×s | [216.52; 480.37] |
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 | -1.49824e+01 | |||
| Coefficient B | 3.01993e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 216.52 | |||
| Temperature range, max. | 480.37 | |||
| η | 0.3552828 | Pa×s | 216.52 | Calculated Property |
| η | 0.0673314 | Pa×s | 245.84 | Calculated Property |
| η | 0.0181882 | Pa×s | 275.15 | Calculated Property |
| η | 0.0063216 | Pa×s | 304.47 | Calculated Property |
| η | 0.0026454 | Pa×s | 333.79 | Calculated Property |
| η | 0.0012742 | Pa×s | 363.10 | Calculated Property |
| η | 0.0006845 | Pa×s | 392.42 | Calculated Property |
| η | 0.0004009 | Pa×s | 421.74 | Calculated Property |
| η | 0.0002517 | Pa×s | 451.05 | Calculated Property |
| η | 0.0001673 | Pa×s | 480.37 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Octen-4-ol, 2,6-dimethyl-.
Sources
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