- 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
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5728 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7896.50 ± 2.30 | kJ/mol | NIST |
| ΔfG° | 131.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -35.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -114.70 ± 2.40 | kJ/mol | NIST |
| ΔfusH° | 28.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) 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 | 614.03 | K | Relay (1.0) Calculated Property |
| Tc | 891.12 | K | Relay (1.0) Calculated Property |
| Tfus | 397.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.675 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 286.60 | J/mol×K | 291.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.24; 555.19] | 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 | -7.89300e+01 | |||
| Coefficient B | 1.33000e+00 | |||
| Coefficient C | -9.55400e-04 | |||
| Coefficient D | 2.59520e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 218.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 339.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 388.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 429.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 464.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 493.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 517.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 537.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 555.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015260; 0.0001671] | Pa×s | [417.70; 687.85] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21170e+01 | |||
| Coefficient B | 2.35246e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 417.70 | |||
| Temperature range, max. | 687.85 | |||
| η | 0.0015260 | Pa×s | 417.70 | Calculated Property |
| η | 0.0010461 | Pa×s | 447.72 | Calculated Property |
| η | 0.0007520 | Pa×s | 477.73 | Calculated Property |
| η | 0.0005621 | Pa×s | 507.75 | Calculated Property |
| η | 0.0004340 | Pa×s | 537.77 | Calculated Property |
| η | 0.0003444 | Pa×s | 567.78 | Calculated Property |
| η | 0.0002797 | Pa×s | 597.80 | Calculated Property |
| η | 0.0002317 | Pa×s | 627.82 | Calculated Property |
| η | 0.0001953 | Pa×s | 657.83 | Calculated Property |
| η | 0.0001671 | Pa×s | 687.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-dione, 1,4-diphenyl-.
Sources
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