- InChI
- InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-3,5-6,15H,4,7-14H2,1H3/b3-2+,6-5+
- InChI Key
- IHRPKOQVBCPMQH-ZIMISOLQSA-N
- Formula
- C14H26O
- SMILES
- CC=CCC=CCCCCCCCCO
- Molecular Weight1
- 210.36
- 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 | 0.7755 | Relay (1.0) Calculated Property | |
| ΔfG° | 90.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.232 | Crippen Calculated Property | |
| McVol | 205.390 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | [1626.00; 1626.00] |
|
|
| Inp | 1626.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Tboil | 571.48 | K | Relay (1.0) Calculated Property |
| Tc | 746.00 | K | Relay (1.0) Calculated Property |
| Tfus | 290.77 | 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 | [286.97; 699.11] | 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 | -3.29110e+01 | |||
| Coefficient B | 1.40782e+00 | |||
| Coefficient C | -9.35800e-04 | |||
| Coefficient D | 2.60000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 286.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 359.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 423.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 479.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 528.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 571.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 609.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 642.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 672.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 699.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0133097; 0.0000822] | Pa×s | [298.20; 551.82] |
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 | -1.53882e+01 | |||
| Coefficient B | 3.30075e+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. | 298.20 | |||
| Temperature range, max. | 551.82 | |||
| η | 0.0133097 | Pa×s | 298.20 | Calculated Property |
| η | 0.0051181 | Pa×s | 326.38 | Calculated Property |
| η | 0.0022910 | Pa×s | 354.56 | Calculated Property |
| η | 0.0011544 | Pa×s | 382.74 | Calculated Property |
| η | 0.0006390 | Pa×s | 410.92 | Calculated Property |
| η | 0.0003816 | Pa×s | 439.10 | Calculated Property |
| η | 0.0002425 | Pa×s | 467.28 | Calculated Property |
| η | 0.0001623 | Pa×s | 495.46 | Calculated Property |
| η | 0.0001134 | Pa×s | 523.64 | Calculated Property |
| η | 0.0000822 | Pa×s | 551.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 9,12-Tetradecadien-1-ol.
Sources
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