- InChI
- InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,6-7,9H,2,5,8H2,1H3/b4-3-,7-6-
- InChI Key
- INXWZSVGTHMNEU-CWWKMNTPSA-N
- Formula
- C8H14O
- SMILES
- CCC=CCC=CCO
- Molecular Weight1
- 126.20
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5339 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.891 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| I | [1600.00; 1600.00] |
|
|
| I | 1600.00 | NIST | |
| I | 1600.00 | NIST | |
| Tboil | 465.83 | K | Relay (1.0) Calculated Property |
| Tc | 650.45 | K | Relay (1.0) Calculated Property |
| Tfus | 254.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.69; 389.56] | 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 | -2.74570e+01 | |||
| Coefficient B | 8.37820e-01 | |||
| Coefficient C | -6.09400e-04 | |||
| Coefficient D | 1.88600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 237.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 295.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 318.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 339.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 357.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 374.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 389.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0584069; 0.0001570] | Pa×s | [230.58; 460.13] |
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 | -1.47051e+01 | |||
| Coefficient B | 2.73579e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 230.58 | |||
| Temperature range, max. | 460.13 | |||
| η | 0.0584069 | Pa×s | 230.58 | Calculated Property |
| η | 0.0179168 | Pa×s | 256.09 | Calculated Property |
| η | 0.0068081 | Pa×s | 281.59 | Calculated Property |
| η | 0.0030380 | Pa×s | 307.10 | Calculated Property |
| η | 0.0015343 | Pa×s | 332.60 | Calculated Property |
| η | 0.0008540 | Pa×s | 358.11 | Calculated Property |
| η | 0.0005139 | Pa×s | 383.61 | Calculated Property |
| η | 0.0003295 | Pa×s | 409.12 | Calculated Property |
| η | 0.0002225 | Pa×s | 434.62 | Calculated Property |
| η | 0.0001570 | Pa×s | 460.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Octadien-1-ol, (Z,Z).
Sources
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