- InChI
- InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9-11H,4,6,8H2,1-2H3/b5-3+,9-7-,11-10+
- InChI Key
- XQQUSVHISAVPIV-WMSSWCHWSA-N
- Formula
- C11H18
- SMILES
- CC=CC=CC=CCCCC
- Molecular Weight1
- 150.26
- CAS
- 85615-64-1
- Other Names
-
- (Z,Z,E)2,4,6-Undecatriene
- 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.
- I : 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 | 0.3237 | Relay (1.0) Calculated Property | |
| ΔfG° | 282.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -9.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 152.950 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | [1233.00; 1233.00] |
|
|
| Inp | 1233.00 | NIST | |
| Inp | 1233.00 | NIST | |
| I | 1470.00 | NIST | |
| Tboil | 449.47 | K | Relay (1.0) Calculated Property |
| Tc | 634.05 | K | Relay (1.0) Calculated Property |
| Tfus | 291.42 | 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 | [196.82; 495.08] | 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 | -4.96570e+01 | |||
| Coefficient B | 1.10884e+00 | |||
| Coefficient C | -8.26000e-04 | |||
| Coefficient D | 2.61900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 196.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 250.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 297.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 338.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 373.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 403.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 430.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 453.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 475.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 495.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052292; 0.0001403] | Pa×s | [198.49; 454.49] |
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 | -1.16766e+01 | |||
| Coefficient B | 1.27492e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 198.49 | |||
| Temperature range, max. | 454.49 | |||
| η | 0.0052292 | Pa×s | 198.49 | Calculated Property |
| η | 0.0023377 | Pa×s | 226.93 | Calculated Property |
| η | 0.0012504 | Pa×s | 255.38 | Calculated Property |
| η | 0.0007581 | Pa×s | 283.82 | Calculated Property |
| η | 0.0005036 | Pa×s | 312.27 | Calculated Property |
| η | 0.0003581 | Pa×s | 340.71 | Calculated Property |
| η | 0.0002684 | Pa×s | 369.16 | Calculated Property |
| η | 0.0002097 | Pa×s | 397.60 | Calculated Property |
| η | 0.0001692 | Pa×s | 426.05 | Calculated Property |
| η | 0.0001403 | Pa×s | 454.49 | Calculated Property |
Similar Compounds
Find more compounds similar to (2Z,4Z,6E)-2,4,6-Undecatriene.
Sources
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