- InChI
- InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H
- InChI Key
- WYCXGQSQHAXLPK-UHFFFAOYSA-N
- Formula
- C16H12O2
- SMILES
- O=C(C=CC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 236.27
- CAS
- 4070-75-1
- Other Names
-
- Ethylene, 1,2-dibenzoyl-
- Dibenzoylethylene
- 1,2-Dibenzoylethylene
- 1,4-Diphenyl-2-butene-1,4-dione
- USAF nd-57
- 1,2-Dibenzoylethene
- 1,4-diphenylbut-2-ene-1,4-dione
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| ΔcH°solid | -7896.50 ± 2.30 | kJ/mol | NIST |
| ΔfG° | 131.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.45 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -114.70 ± 2.40 | kJ/mol | NIST |
| ΔfusH° | 28.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.21 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.308 | Crippen Calculated Property | |
| McVol | 187.620 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| S°solid,1 bar | 319.20 | J/mol×K | NIST |
| Tboil | 730.74 | K | Joback Calculated Property |
| Tc | 982.37 | K | Joback Calculated Property |
| Tfus | 417.70 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.05; 551.65] | J/mol×K | [730.74; 982.37] | 
|
| Cp,gas | 484.05 | J/mol×K | 730.74 | Joback Calculated Property |
| Cp,gas | 498.05 | J/mol×K | 772.68 | Joback Calculated Property |
| Cp,gas | 510.80 | J/mol×K | 814.62 | Joback Calculated Property |
| Cp,gas | 522.42 | J/mol×K | 856.56 | Joback Calculated Property |
| Cp,gas | 533.02 | J/mol×K | 898.50 | Joback Calculated Property |
| Cp,gas | 542.73 | J/mol×K | 940.43 | Joback Calculated Property |
| Cp,gas | 551.65 | J/mol×K | 982.37 | Joback Calculated Property |
| Cp,solid | 286.60 | J/mol×K | 291.90 | NIST |
| η | [0.0001367; 0.0015260] | Pa×s | [417.70; 730.74] |
|
| η | 0.0015260 | Pa×s | 417.70 | Joback Calculated Property |
| η | 0.0008165 | Pa×s | 469.87 | Joback Calculated Property |
| η | 0.0004951 | Pa×s | 522.05 | Joback Calculated Property |
| η | 0.0003287 | Pa×s | 574.22 | Joback Calculated Property |
| η | 0.0002337 | Pa×s | 626.39 | Joback Calculated Property |
| η | 0.0001751 | Pa×s | 678.57 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 730.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-dione, 1,4-diphenyl-.
Sources
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