- InChI
- InChI=1S/C16H12/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H/b13-7+
- InChI Key
- LHNRWGOBPNCPKQ-NTUHNPAUSA-N
- Formula
- C16H12
- SMILES
- C(#Cc1ccccc1)C=Cc1ccccc1
- Molecular Weight1
- 204.27
- CAS
- 13141-45-2
- Other Names
-
- Diphenyl-but-3-en-1-yne
- (E)-1,4-Diphenyl-but-3-en-1-yne
- 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).
- 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).
- 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° | 591.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 489.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.87 | kJ/mol | Joback Calculated Property |
| IE | [7.50; 7.99] | eV |
|
| IE | 7.50 | eV | NIST |
| IE | 7.99 | eV | NIST |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 3.752 | Crippen Calculated Property | |
| McVol | 175.880 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Tboil | 632.00 | K | Joback Calculated Property |
| Tc | 903.15 | K | Joback Calculated Property |
| Tfus | 423.94 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.21; 494.75] | J/mol×K | [632.00; 903.15] |
|
| Cp,gas | 410.21 | J/mol×K | 632.00 | Joback Calculated Property |
| Cp,gas | 427.70 | J/mol×K | 677.19 | Joback Calculated Property |
| Cp,gas | 443.64 | J/mol×K | 722.38 | Joback Calculated Property |
| Cp,gas | 458.18 | J/mol×K | 767.57 | Joback Calculated Property |
| Cp,gas | 471.44 | J/mol×K | 812.77 | Joback Calculated Property |
| Cp,gas | 483.59 | J/mol×K | 857.96 | Joback Calculated Property |
| Cp,gas | 494.75 | J/mol×K | 903.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(1-buten-3-yne-1,4-diyl)bis-.
Sources
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