- InChI
- InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h4-5,7-9H,6H2,1-3H3/b5-4+
- InChI Key
- DDCSBNXVMSWZLW-SNAWJCMRSA-N
- Formula
- C8H16O
- SMILES
- CC(C)C=CCC(C)O
- Molecular Weight1
- 128.21
- 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).
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 13.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.969 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Ip | [1459.00; 1459.00] |
|
|
| Ip | 1459.00 | NIST | |
| Ip | 1459.00 | NIST | |
| Tboil | 427.11 | K | Relay (1.0) Calculated Property |
| Tfus | 204.56 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [173.06; 421.22] | 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 | -1.66390e+01 | |||
| Coefficient B | 8.29660e-01 | |||
| Coefficient C | -5.32000e-04 | |||
| Coefficient D | 1.40200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 318.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 344.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 367.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 387.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 405.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 421.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3377397; 0.0001739] | Pa×s | [205.66; 456.25] |
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 | -1.48713e+01 | |||
| Coefficient B | 2.83519e+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. | 205.66 | |||
| Temperature range, max. | 456.25 | |||
| η | 0.3377397 | Pa×s | 205.66 | Calculated Property |
| η | 0.0652618 | Pa×s | 233.50 | Calculated Property |
| η | 0.0179002 | Pa×s | 261.35 | Calculated Property |
| η | 0.0062985 | Pa×s | 289.19 | Calculated Property |
| η | 0.0026626 | Pa×s | 317.04 | Calculated Property |
| η | 0.0012934 | Pa×s | 344.88 | Calculated Property |
| η | 0.0006999 | Pa×s | 372.72 | Calculated Property |
| η | 0.0004125 | Pa×s | 400.57 | Calculated Property |
| η | 0.0002604 | Pa×s | 428.41 | Calculated Property |
| η | 0.0001739 | Pa×s | 456.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyl-4-hepten-2-ol.
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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