- InChI
- InChI=1S/C14H28/c1-6-8-12(3)10-14(5)11-13(4)9-7-2/h6,8,12-14H,7,9-11H2,1-5H3
- InChI Key
- XLHHFMMDEMBZND-SOFGYWHQSA-N
- Formula
- C14H28
- SMILES
- C/C=C/C(C)CC(C)CC(C)CCC
- Molecular Weight1
- 196.38
- 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).
- 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 | 0.4654 | Relay (1.0) Calculated Property | |
| ΔfG° | 139.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.051 | Crippen Calculated Property | |
| McVol | 203.820 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | 1220.00 | NIST | |
| Tboil | 490.72 | K | Relay (1.0) Calculated Property |
| Tc | 649.77 | K | Relay (1.0) Calculated Property |
| Tfus | 194.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.723 | 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 | [287.53; 712.63] | 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 | -2.90660e+01 | |||
| Coefficient B | 1.37160e+00 | |||
| Coefficient C | -8.31200e-04 | |||
| Coefficient D | 2.01300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 287.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 361.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 426.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 484.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 535.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 580.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 620.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 655.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 685.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 712.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0292014; 0.0001631] | Pa×s | [197.46; 488.90] |
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 | -1.22360e+01 | |||
| Coefficient B | 1.71838e+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. | 197.46 | |||
| Temperature range, max. | 488.90 | |||
| η | 0.0292014 | Pa×s | 197.46 | Calculated Property |
| η | 0.0085688 | Pa×s | 229.84 | Calculated Property |
| η | 0.0034037 | Pa×s | 262.23 | Calculated Property |
| η | 0.0016563 | Pa×s | 294.61 | Calculated Property |
| η | 0.0009295 | Pa×s | 326.99 | Calculated Property |
| η | 0.0005789 | Pa×s | 359.37 | Calculated Property |
| η | 0.0003899 | Pa×s | 391.76 | Calculated Property |
| η | 0.0002789 | Pa×s | 424.14 | Calculated Property |
| η | 0.0002093 | Pa×s | 456.52 | Calculated Property |
| η | 0.0001631 | Pa×s | 488.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Undecene, 4,6,8-trimethyl.
Sources
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