- InChI
- InChI=1S/C13H12/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7,9,11H,1H2,2H3/b6-4+,7-5+,11-9+
- InChI Key
- ASVIELUINMCNMW-FSNIPRKGSA-N
- Formula
- C13H12
- SMILES
- C=CC=CC=CC#CC#CC=CC
- Molecular Weight1
- 168.23
- Other Names
-
- 1,3(E),5(E),11(E)-Tridecatetraen-7,9-diyne
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 792.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 710.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.27 | Crippen Calculated Property | |
| logPoct/wat | 2.868 | Crippen Calculated Property | |
| McVol | 159.630 | ml/mol | McGowan Calculated Property |
| Pc | 2635.25 | kPa | Joback Calculated Property |
| Inp | [1607.00; 1648.00] |
|
|
| Inp | 1648.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Inp | 1648.00 | NIST | |
| Inp | 1648.00 | NIST | |
| I | [2405.00; 2405.00] |
|
|
| I | 2405.00 | NIST | |
| I | 2405.00 | NIST | |
| I | 2405.00 | NIST | |
| Tboil | 524.00 | K | Joback Calculated Property |
| Tc | 761.55 | K | Joback Calculated Property |
| Tfus | 431.47 | K | Joback Calculated Property |
| Vc | 0.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.96; 393.13] | J/mol×K | [524.00; 761.55] |
|
| Cp,gas | 318.96 | J/mol×K | 524.00 | Joback Calculated Property |
| Cp,gas | 333.60 | J/mol×K | 563.59 | Joback Calculated Property |
| Cp,gas | 347.20 | J/mol×K | 603.18 | Joback Calculated Property |
| Cp,gas | 359.85 | J/mol×K | 642.78 | Joback Calculated Property |
| Cp,gas | 371.66 | J/mol×K | 682.37 | Joback Calculated Property |
| Cp,gas | 382.72 | J/mol×K | 721.96 | Joback Calculated Property |
| Cp,gas | 393.13 | J/mol×K | 761.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5,7-Tridecatetraene-7,9-diyne isomer # 1.
Sources
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