- InChI
- InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-6H,7-14H2,1-2H3/b5-3-,6-4-
- InChI Key
- YXFRVWVBQDUOAT-GLIMQPGKSA-N
- Formula
- C14H26
- SMILES
- CC=CCCCCCCCCC=CC
- Molecular Weight1
- 194.36
- 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).
- 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 | 0.5579 | Relay (1.0) Calculated Property | |
| ΔfG° | 227.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.259 | Crippen Calculated Property | |
| McVol | 199.520 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | [1409.00; 1409.00] |
|
|
| Inp | 1409.00 | NIST | |
| Inp | 1409.00 | NIST | |
| Tboil | 518.35 | K | Relay (1.0) Calculated Property |
| Tc | 689.34 | K | Relay (1.0) Calculated Property |
| Tfus | 258.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.747 | 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 | [274.47; 680.44] | 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 | -3.82020e+01 | |||
| Coefficient B | 1.37384e+00 | |||
| Coefficient C | -9.05400e-04 | |||
| Coefficient D | 2.50200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 274.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 345.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 408.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 463.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 512.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 554.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 591.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 624.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 653.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 680.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051467; 0.0001653] | Pa×s | [237.38; 490.70] |
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 | -1.19303e+01 | |||
| Coefficient B | 1.58116e+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. | 237.38 | |||
| Temperature range, max. | 490.70 | |||
| η | 0.0051467 | Pa×s | 237.38 | Calculated Property |
| η | 0.0025403 | Pa×s | 265.53 | Calculated Property |
| η | 0.0014356 | Pa×s | 293.67 | Calculated Property |
| η | 0.0008964 | Pa×s | 321.82 | Calculated Property |
| η | 0.0006038 | Pa×s | 349.97 | Calculated Property |
| η | 0.0004314 | Pa×s | 378.11 | Calculated Property |
| η | 0.0003229 | Pa×s | 406.26 | Calculated Property |
| η | 0.0002509 | Pa×s | 434.41 | Calculated Property |
| η | 0.0002011 | Pa×s | 462.55 | Calculated Property |
| η | 0.0001653 | Pa×s | 490.70 | Calculated Property |
Similar Compounds
Find more compounds similar to cis,cis-2,12-tetradecadiene.
Sources
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