- InChI
- InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h5-8H,3-4,9H2,1-2H3/b7-5-,8-6-
- InChI Key
- GQQQKUIHXIZOCM-SFECMWDFSA-N
- Formula
- C9H16
- SMILES
- CCC=CCC=CCC
- Molecular Weight1
- 124.22
- 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 | 0.2726 | Relay (1.0) Calculated Property | |
| ΔfG° | 185.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -59.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [882.00; 882.00] |
|
|
| Inp | 882.00 | NIST | |
| Inp | 882.00 | NIST | |
| Tboil | 415.90 | K | Relay (1.0) Calculated Property |
| Tc | 582.56 | K | Relay (1.0) Calculated Property |
| Tfus | 195.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.482 | 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 | [168.40; 422.48] | 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 | -3.36570e+01 | |||
| Coefficient B | 8.98840e-01 | |||
| Coefficient C | -6.33400e-04 | |||
| Coefficient D | 1.90700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 168.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 213.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 252.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 317.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 343.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 387.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 405.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 422.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052511; 0.0001648] | Pa×s | [181.03; 415.57] |
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 | -1.13829e+01 | |||
| Coefficient B | 1.11036e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 181.03 | |||
| Temperature range, max. | 415.57 | |||
| η | 0.0052511 | Pa×s | 181.03 | Calculated Property |
| η | 0.0024269 | Pa×s | 207.09 | Calculated Property |
| η | 0.0013328 | Pa×s | 233.15 | Calculated Property |
| η | 0.0008257 | Pa×s | 259.21 | Calculated Property |
| η | 0.0005583 | Pa×s | 285.27 | Calculated Property |
| η | 0.0004031 | Pa×s | 311.33 | Calculated Property |
| η | 0.0003060 | Pa×s | 337.39 | Calculated Property |
| η | 0.0002417 | Pa×s | 363.45 | Calculated Property |
| η | 0.0001970 | Pa×s | 389.51 | Calculated Property |
| η | 0.0001648 | Pa×s | 415.57 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-3,cis-6-nonadiene.
Sources
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