- InChI
- InChI=1S/C19H30/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-17,19H,3-4,6,9,12,15,18H2,1-2H3/b7-5-,10-8-,13-11-,16-14-,19-17-
- InChI Key
- IOOIMZXQBJSUDS-YKBODEMXSA-N
- Formula
- C19H30
- SMILES
- CCC=CCC=CCC=CCC=CCC=CCCC
- Molecular Weight1
- 258.44
- 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 | 0.3858 | Relay (1.0) Calculated Property | |
| ΔfG° | 510.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.538 | Crippen Calculated Property | |
| McVol | 257.070 | ml/mol | McGowan Calculated Property |
| Pc | 1292.07 | kPa | Joback Calculated Property |
| Inp | 1810.00 | NIST | |
| I | [2125.00; 2125.00] |
|
|
| I | 2125.00 | NIST | |
| I | 2125.00 | NIST | |
| Tboil | 557.81 | K | Relay (1.0) Calculated Property |
| Tc | 722.95 | K | Relay (1.0) Calculated Property |
| Tfus | 257.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.877 | 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 | [338.53; 846.65] | 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 | -8.52930e+01 | |||
| Coefficient B | 1.90884e+00 | |||
| Coefficient C | -1.42880e-03 | |||
| Coefficient D | 4.51900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 338.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 431.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 511.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 580.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 640.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 692.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 737.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 777.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 813.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 846.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030700; 0.0000725] | Pa×s | [278.49; 588.26] |
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 | -1.28983e+01 | |||
| Coefficient B | 1.98068e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 278.49 | |||
| Temperature range, max. | 588.26 | |||
| η | 0.0030700 | Pa×s | 278.49 | Calculated Property |
| η | 0.0014040 | Pa×s | 312.91 | Calculated Property |
| η | 0.0007498 | Pa×s | 347.33 | Calculated Property |
| η | 0.0004484 | Pa×s | 381.75 | Calculated Property |
| η | 0.0002919 | Pa×s | 416.17 | Calculated Property |
| η | 0.0002030 | Pa×s | 450.59 | Calculated Property |
| η | 0.0001486 | Pa×s | 485.00 | Calculated Property |
| η | 0.0001133 | Pa×s | 519.42 | Calculated Property |
| η | 0.0000894 | Pa×s | 553.84 | Calculated Property |
| η | 0.0000725 | Pa×s | 588.26 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-3,6,9,12,15-nonadecapentaene.
Sources
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