- InChI
- InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h4-5,9H,1-2,6-7H2,3H3
- InChI Key
- WAXJJHZQRWWQIR-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- C=CCC(C)(O)CC=C
- Molecular Weight1
- 126.20
- CAS
- 25201-40-5
- Other Names
-
- 1,6-Heptadien-4-ol, 4-methyl-
- 4-Methyl-1,6-heptadiene-4-ol
- 4-methylhepta-1,6-dien-4-ol
- Diallyl methyl carbinol
- 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).
- Pvap : Vapor pressure (kPa).
- 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° | 10.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.890 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Tboil | 421.61 | K | Relay (1.0) Calculated Property |
| Tc | 618.20 | K | Relay (1.0) Calculated Property |
| Tfus | 232.20 | 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, 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 | [166.62; 395.17] | 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 | -2.95480e+01 | |||
| Coefficient B | 8.83620e-01 | |||
| Coefficient C | -6.59400e-04 | |||
| Coefficient D | 2.00500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 209.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 246.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 278.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 305.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 328.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 348.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 365.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 381.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 395.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0659635; 0.0002390] | Pa×s | [239.64; 448.32] |
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 | -1.47931e+01 | |||
| Coefficient B | 2.89353e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 239.64 | |||
| Temperature range, max. | 448.32 | |||
| η | 0.0659635 | Pa×s | 239.64 | Calculated Property |
| η | 0.0227345 | Pa×s | 262.83 | Calculated Property |
| η | 0.0093127 | Pa×s | 286.01 | Calculated Property |
| η | 0.0043611 | Pa×s | 309.20 | Calculated Property |
| η | 0.0022703 | Pa×s | 332.39 | Calculated Property |
| η | 0.0012869 | Pa×s | 355.57 | Calculated Property |
| η | 0.0007820 | Pa×s | 378.76 | Calculated Property |
| η | 0.0005033 | Pa×s | 401.95 | Calculated Property |
| η | 0.0003399 | Pa×s | 425.13 | Calculated Property |
| η | 0.0002390 | Pa×s | 448.32 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [329.24; 490.37] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.36714e+01 | |||
| Coefficient B | -3.58846e+03 | |||
| Coefficient C | -6.11210e+01 | |||
| Temperature range, min. | 329.24 | |||
| Temperature range, max. | 490.37 | |||
| Pvap | 1.33 | kPa | 329.24 | Calculated Property |
| Pvap | 3.08 | kPa | 347.14 | Calculated Property |
| Pvap | 6.45 | kPa | 365.05 | Calculated Property |
| Pvap | 12.44 | kPa | 382.95 | Calculated Property |
| Pvap | 22.39 | kPa | 400.85 | Calculated Property |
| Pvap | 38.00 | kPa | 418.76 | Calculated Property |
| Pvap | 61.31 | kPa | 436.66 | Calculated Property |
| Pvap | 94.70 | kPa | 454.56 | Calculated Property |
| Pvap | 140.85 | kPa | 472.47 | Calculated Property |
| Pvap | 202.67 | kPa | 490.37 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-1,6-heptadien-4-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
- The Yaws Handbook of Vapor Pressure
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