- InChI
- InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5-
- InChI Key
- KAGUESUDHDXNCN-PEPZGXQESA-N
- Formula
- C13H10
- SMILES
- C=C/C=C\C#CC#CC#C/C=C\C
- Molecular Weight1
- 166.22
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- Ip : 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 | 0.0957 | Relay (1.0) Calculated Property | |
| ΔfG° | 915.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 808.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.315 | Crippen Calculated Property | |
| McVol | 155.330 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | 1618.00 | NIST | |
| Ip | [2305.00; 2305.00] |
|
|
| Ip | 2305.00 | NIST | |
| Ip | 2305.00 | NIST | |
| Tboil | 454.26 | K | Relay (1.0) Calculated Property |
| Tc | 643.02 | K | Relay (1.0) Calculated Property |
| Tfus | 281.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.511 | 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 | [192.75; 416.97] | 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 | 1.23900e+01 | |||
| Coefficient B | 8.09420e-01 | |||
| Coefficient C | -5.97480e-04 | |||
| Coefficient D | 1.92640e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 267.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 297.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 323.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 346.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 384.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 416.97 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z,Z)-1,3,11-Tridecatriene-5,7,9-triyne.
Sources
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