- InChI
- InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h3,5-9,11H,1,4,10H2,2H3/b7-5+,8-6+,11-9+
- InChI Key
- JXRWPVZILDJGFO-NDNIUKBNSA-N
- Formula
- C11H16
- SMILES
- C=CC=CC=CCC=CCC
- Molecular Weight1
- 148.24
- CAS
- 50277-31-1
- Other Names
-
- 1,3,5,8-Undecatetraene, (E,E,Z)-
- (E,E,Z)-undeca-1,3,5,8-tetraene
- 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).
- 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 | 0.2525 | Relay (1.0) Calculated Property | |
| ΔfG° | 370.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.641 | Crippen Calculated Property | |
| McVol | 148.650 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Inp | [1172.00; 1180.00] |
|
|
| Inp | 1177.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1172.00 | NIST | |
| I | [1431.00; 1469.00] |
|
|
| I | 1469.00 | NIST | |
| I | 1440.00 | NIST | |
| I | 1454.00 | NIST | |
| I | 1431.00 | NIST | |
| Tboil | 442.05 | K | Relay (1.0) Calculated Property |
| Tc | 629.96 | K | Relay (1.0) Calculated Property |
| Tfus | 275.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | 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 | [187.01; 466.57] | 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 | -5.26480e+01 | |||
| Coefficient B | 1.08882e+00 | |||
| Coefficient C | -8.48900e-04 | |||
| Coefficient D | 2.79300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 283.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 321.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 353.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 382.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 406.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 428.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 447.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 466.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044996; 0.0001373] | Pa×s | [196.73; 454.87] |
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 | -1.15531e+01 | |||
| Coefficient B | 1.20976e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 196.73 | |||
| Temperature range, max. | 454.87 | |||
| η | 0.0044996 | Pa×s | 196.73 | Calculated Property |
| η | 0.0020576 | Pa×s | 225.41 | Calculated Property |
| η | 0.0011227 | Pa×s | 254.10 | Calculated Property |
| η | 0.0006927 | Pa×s | 282.78 | Calculated Property |
| η | 0.0004671 | Pa×s | 311.46 | Calculated Property |
| η | 0.0003366 | Pa×s | 340.14 | Calculated Property |
| η | 0.0002553 | Pa×s | 368.83 | Calculated Property |
| η | 0.0002015 | Pa×s | 397.51 | Calculated Property |
| η | 0.0001642 | Pa×s | 426.19 | Calculated Property |
| η | 0.0001373 | Pa×s | 454.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5,8-Undecatetraene.
Sources
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