- 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).
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- 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 |
|---|---|---|---|
| ΔfG° | 58.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.45 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 1.890 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Tboil | 464.75 | K | Joback Calculated Property |
| Tc | 640.18 | K | Joback Calculated Property |
| Tfus | 239.64 | K | Joback Calculated Property |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.82; 318.49] | J/mol×K | [464.75; 640.18] | 
|
| Cp,gas | 258.82 | J/mol×K | 464.75 | Joback Calculated Property |
| Cp,gas | 270.21 | J/mol×K | 493.99 | Joback Calculated Property |
| Cp,gas | 280.98 | J/mol×K | 523.23 | Joback Calculated Property |
| Cp,gas | 291.17 | J/mol×K | 552.47 | Joback Calculated Property |
| Cp,gas | 300.80 | J/mol×K | 581.71 | Joback Calculated Property |
| Cp,gas | 309.89 | J/mol×K | 610.94 | Joback Calculated Property |
| Cp,gas | 318.49 | J/mol×K | 640.18 | Joback Calculated Property |
| η | [0.0001903; 0.0659635] | Pa×s | [239.64; 464.75] |
|
| η | 0.0659635 | Pa×s | 239.64 | Joback Calculated Property |
| η | 0.0128662 | Pa×s | 277.16 | Joback Calculated Property |
| η | 0.0037057 | Pa×s | 314.68 | Joback Calculated Property |
| η | 0.0013914 | Pa×s | 352.19 | Joback Calculated Property |
| η | 0.0006309 | Pa×s | 389.71 | Joback Calculated Property |
| η | 0.0003287 | Pa×s | 427.23 | Joback Calculated Property |
| η | 0.0001903 | Pa×s | 464.75 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [329.24; 490.37] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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