- InChI
- InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-6H,7-15H2,1-2H3/b5-3+,6-4?
- InChI Key
- HGLTZGLDKKCYIH-GGWOSOGESA-N
- Formula
- C15H28
- SMILES
- C/C=C/CCCCCCCCC/C=C/C
- Molecular Weight1
- 208.39
- 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 | 0.5928 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.649 | Crippen Calculated Property | |
| McVol | 213.610 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | [1497.00; 1497.00] |
|
|
| Inp | 1497.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Tboil | 530.47 | K | Relay (1.0) Calculated Property |
| Tc | 701.01 | K | Relay (1.0) Calculated Property |
| Tfus | 267.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | 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 | [295.68; 732.03] | 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 | -3.91110e+01 | |||
| Coefficient B | 1.46884e+00 | |||
| Coefficient C | -9.59800e-04 | |||
| Coefficient D | 2.62100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 295.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 372.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 439.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 498.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 550.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 596.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 636.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 672.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 703.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 732.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048833; 0.0001589] | Pa×s | [248.65; 505.81] |
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 | -1.20596e+01 | |||
| Coefficient B | 1.67532e+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. | 248.65 | |||
| Temperature range, max. | 505.81 | |||
| η | 0.0048833 | Pa×s | 248.65 | Calculated Property |
| η | 0.0024385 | Pa×s | 277.22 | Calculated Property |
| η | 0.0013864 | Pa×s | 305.80 | Calculated Property |
| η | 0.0008681 | Pa×s | 334.37 | Calculated Property |
| η | 0.0005851 | Pa×s | 362.94 | Calculated Property |
| η | 0.0004178 | Pa×s | 391.52 | Calculated Property |
| η | 0.0003123 | Pa×s | 420.09 | Calculated Property |
| η | 0.0002422 | Pa×s | 448.66 | Calculated Property |
| η | 0.0001937 | Pa×s | 477.24 | Calculated Property |
| η | 0.0001589 | Pa×s | 505.81 | Calculated Property |
Similar Compounds
Find more compounds similar to trans,trans-2,13-pentadecadiene.
Sources
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