- InChI
- InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+
- InChI Key
- MDRZSADXFOPYOC-VNKDHWASSA-N
- Formula
- C7H12O
- SMILES
- CCC=CC=CCO
- Molecular Weight1
- 112.17
- CAS
- 33467-79-7
- Other Names
-
- (E,E)-2,4-Heptadien-1-ol
- 2,4-Heptadien-1-ol
- (2E,4E)-hepta-2,4-dien-1-ol
- 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).
- I : 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 |
|---|---|---|---|
| ΔfG° | 31.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.77 | kJ/mol | Joback Calculated Property |
| log10WS | -1.72 | Crippen Calculated Property | |
| logPoct/wat | 1.501 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| I | [1682.00; 1682.00] |
|
|
| I | 1682.00 | NIST | |
| I | 1682.00 | NIST | |
| Tboil | 460.06 | K | Joback Calculated Property |
| Tc | 635.58 | K | Joback Calculated Property |
| Tfus | 219.31 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.93; 266.74] | J/mol×K | [460.06; 635.58] |
|
| Cp,gas | 214.93 | J/mol×K | 460.06 | Joback Calculated Property |
| Cp,gas | 224.74 | J/mol×K | 489.31 | Joback Calculated Property |
| Cp,gas | 234.05 | J/mol×K | 518.57 | Joback Calculated Property |
| Cp,gas | 242.87 | J/mol×K | 547.82 | Joback Calculated Property |
| Cp,gas | 251.25 | J/mol×K | 577.07 | Joback Calculated Property |
| Cp,gas | 259.20 | J/mol×K | 606.33 | Joback Calculated Property |
| Cp,gas | 266.74 | J/mol×K | 635.58 | Joback Calculated Property |
| η | [0.0001389; 0.0758665] | Pa×s | [219.31; 460.06] |
|
| η | 0.0758665 | Pa×s | 219.31 | Joback Calculated Property |
| η | 0.0117756 | Pa×s | 259.44 | Joback Calculated Property |
| η | 0.0030106 | Pa×s | 299.56 | Joback Calculated Property |
| η | 0.0010624 | Pa×s | 339.69 | Joback Calculated Property |
| η | 0.0004672 | Pa×s | 379.81 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 419.94 | Joback Calculated Property |
| η | 0.0001389 | Pa×s | 460.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Heptadien-1-ol, (E,E)-.
Sources
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