- InChI
- InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h2-7,9-10H,1,8H2/b5-3+
- InChI Key
- XIKDQDXWYVAHNF-HWKANZROSA-N
- Formula
- C11H12
- SMILES
- C=CC=CCc1ccccc1
- Molecular Weight1
- 144.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 17.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.971 | Crippen Calculated Property | |
| McVol | 133.490 | ml/mol | McGowan Calculated Property |
| Inp | [1290.00; 1290.00] |
|
|
| Inp | 1290.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Tboil | 475.26 | K | Relay (1.0) Calculated Property |
| Tfus | 262.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.82; 342.29] | J/mol×K | [478.60; 695.21] |
|
| Cp,gas | 265.82 | J/mol×K | 478.60 | Joback Calculated Property |
| Cp,gas | 280.90 | J/mol×K | 514.70 | Joback Calculated Property |
| Cp,gas | 294.97 | J/mol×K | 550.80 | Joback Calculated Property |
| Cp,gas | 308.08 | J/mol×K | 586.90 | Joback Calculated Property |
| Cp,gas | 320.30 | J/mol×K | 623.01 | Joback Calculated Property |
| Cp,gas | 331.68 | J/mol×K | 659.11 | Joback Calculated Property |
| Cp,gas | 342.29 | J/mol×K | 695.21 | Joback Calculated Property |
| η | [0.0001849; 0.0031494] | Pa×s | [233.31; 478.60] |
|
| η | 0.0031494 | Pa×s | 233.31 | Joback Calculated Property |
| η | 0.0013804 | Pa×s | 274.19 | Joback Calculated Property |
| η | 0.0007494 | Pa×s | 315.07 | Joback Calculated Property |
| η | 0.0004682 | Pa×s | 355.96 | Joback Calculated Property |
| η | 0.0003222 | Pa×s | 396.84 | Joback Calculated Property |
| η | 0.0002378 | Pa×s | 437.72 | Joback Calculated Property |
| η | 0.0001849 | Pa×s | 478.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-2,4-pentadiyne.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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