- InChI
- InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-3,5-6,13H,4,7-12H2,1H3/b3-2+,6-5+
- InChI Key
- GMTNKKGRAIRABT-ZIMISOLQSA-N
- Formula
- C12H22O
- SMILES
- CC=CCC=CCCCCCCO
- Molecular Weight1
- 182.30
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.7040 | Relay (1.0) Calculated Property | |
| ΔfG° | 73.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.452 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Inp | 1429.00 | NIST | |
| Tboil | 542.04 | K | Relay (1.0) Calculated Property |
| Tc | 718.63 | K | Relay (1.0) Calculated Property |
| Tfus | 275.79 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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 | [244.54; 595.93] | 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 | -3.10930e+01 | |||
| Coefficient B | 1.21782e+00 | |||
| Coefficient C | -8.27000e-04 | |||
| Coefficient D | 2.36200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 244.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 306.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 361.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 409.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 451.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 487.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 519.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 547.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 573.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 595.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0214404; 0.0001056] | Pa×s | [275.66; 520.70] |
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 | -1.51333e+01 | |||
| Coefficient B | 3.11243e+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. | 275.66 | |||
| Temperature range, max. | 520.70 | |||
| η | 0.0214404 | Pa×s | 275.66 | Calculated Property |
| η | 0.0077705 | Pa×s | 302.89 | Calculated Property |
| η | 0.0033294 | Pa×s | 330.11 | Calculated Property |
| η | 0.0016232 | Pa×s | 357.34 | Calculated Property |
| η | 0.0008761 | Pa×s | 384.57 | Calculated Property |
| η | 0.0005131 | Pa×s | 411.79 | Calculated Property |
| η | 0.0003211 | Pa×s | 439.02 | Calculated Property |
| η | 0.0002122 | Pa×s | 466.25 | Calculated Property |
| η | 0.0001468 | Pa×s | 493.47 | Calculated Property |
| η | 0.0001056 | Pa×s | 520.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 7,10-dodecadien-1-ol.
Sources
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