- InChI
- InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h10-11H,3-5,7,9H2,1-2H3/b11-10+
- InChI Key
- HKGRHUQPBWLCLA-ZHACJKMWSA-N
- Formula
- C11H18
- SMILES
- CCC#CC=CCCCCC
- Molecular Weight1
- 150.26
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3290 | Relay (1.0) Calculated Property | |
| ΔfG° | 324.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.536 | Crippen Calculated Property | |
| McVol | 152.950 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | [1161.00; 1161.00] |
|
|
| Inp | 1161.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Ip | [1388.00; 1388.00] |
|
|
| Ip | 1388.00 | NIST | |
| Ip | 1388.00 | NIST | |
| Tboil | 449.58 | K | Relay (1.0) Calculated Property |
| Tc | 643.24 | K | Relay (1.0) Calculated Property |
| Tfus | 201.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.93; 495.12] | 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 | -3.73500e+00 | |||
| Coefficient B | 9.19040e-01 | |||
| Coefficient C | -5.66260e-04 | |||
| Coefficient D | 1.46080e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 300.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 339.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 373.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 404.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 431.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 454.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 476.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 495.12 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Undecen-3yne.
Sources
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