- InChI
- InChI=1S/C23H44/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-23H2,1-2H3/b13-11+,19-17+
- InChI Key
- QVTSRBNFHQATMF-GRAPOSQESA-N
- Formula
- C23H44
- SMILES
- CCCCCC=CCC=CCCCCCCCCCCCCC
- Molecular Weight1
- 320.60
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | 0.8189 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.770 | Crippen Calculated Property | |
| McVol | 326.330 | ml/mol | McGowan Calculated Property |
| Pc | 906.15 | kPa | Joback Calculated Property |
| Inp | [2252.00; 2252.00] |
|
|
| Inp | 2252.00 | NIST | |
| Inp | 2252.00 | NIST | |
| Tboil | 599.34 | K | Relay (1.0) Calculated Property |
| Tc | 774.97 | K | Relay (1.0) Calculated Property |
| Tfus | 278.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.254 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.39; 1144.76] | 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 | -4.63830e+01 | |||
| Coefficient B | 2.22884e+00 | |||
| Coefficient C | -1.39500e-03 | |||
| Coefficient D | 3.57300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 465.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 583.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 688.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 780.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 862.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 933.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 996.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1052.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1101.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1144.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023514; 0.0000834] | Pa×s | [338.81; 634.32] |
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 | -1.32208e+01 | |||
| Coefficient B | 2.42860e+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. | 338.81 | |||
| Temperature range, max. | 634.32 | |||
| η | 0.0023514 | Pa×s | 338.81 | Calculated Property |
| η | 0.0012482 | Pa×s | 371.64 | Calculated Property |
| η | 0.0007344 | Pa×s | 404.48 | Calculated Property |
| η | 0.0004679 | Pa×s | 437.31 | Calculated Property |
| η | 0.0003175 | Pa×s | 470.15 | Calculated Property |
| η | 0.0002266 | Pa×s | 502.98 | Calculated Property |
| η | 0.0001686 | Pa×s | 535.82 | Calculated Property |
| η | 0.0001297 | Pa×s | 568.65 | Calculated Property |
| η | 0.0001028 | Pa×s | 601.48 | Calculated Property |
| η | 0.0000834 | Pa×s | 634.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 6,9-Tricosadiene.
Sources
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