- InChI
- InChI=1S/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3
- InChI Key
- NTINAJCDYRYMML-UHFFFAOYSA-N
- Formula
- C15H12O3
- SMILES
- COc1ccc(C(=O)C(=O)c2ccccc2)cc1
- Molecular Weight1
- 240.26
- Other Names
-
- Benzil, 4-methoxy-
- p-Methoxybenzil
- 4-Methoxybenzil
- 1-(4-Methoxyphenyl)-2-phenyl-ethan-1,2-dion
- 1-(4-Methoxyphenyl)-2-phenyl-ethan-1,2-dione
- 1-(4-Methoxyphenyl)-2-phenyl-1,2-ethanedione
- Dibenzoyl, 4-methoxy
- NSC 39465
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.6564 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.761 | Crippen Calculated Property | |
| McVol | 183.700 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Inp | [2086.00; 2086.00] |
|
|
| Inp | 2086.00 | NIST | |
| Inp | 2086.00 | NIST | |
| Tboil | 630.93 | K | Relay (1.0) Calculated Property |
| Tc | 882.57 | K | Relay (1.0) Calculated Property |
| Tfus | 368.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.98; 549.64] | 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 | -2.40400e+01 | |||
| Coefficient B | 1.09232e+00 | |||
| Coefficient C | -6.39160e-04 | |||
| Coefficient D | 1.20520e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 228.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 287.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 339.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 385.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 425.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 459.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 489.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 513.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 533.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 549.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010757; 0.0001732] | Pa×s | [446.26; 682.75] |
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 | -1.21073e+01 | |||
| Coefficient B | 2.35289e+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. | 446.26 | |||
| Temperature range, max. | 682.75 | |||
| η | 0.0010757 | Pa×s | 446.26 | Calculated Property |
| η | 0.0008023 | Pa×s | 472.54 | Calculated Property |
| η | 0.0006172 | Pa×s | 498.81 | Calculated Property |
| η | 0.0004874 | Pa×s | 525.09 | Calculated Property |
| η | 0.0003937 | Pa×s | 551.37 | Calculated Property |
| η | 0.0003242 | Pa×s | 577.64 | Calculated Property |
| η | 0.0002716 | Pa×s | 603.92 | Calculated Property |
| η | 0.0002309 | Pa×s | 630.20 | Calculated Property |
| η | 0.0001988 | Pa×s | 656.47 | Calculated Property |
| η | 0.0001732 | Pa×s | 682.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanedione, (4-methoxyphenyl)phenyl-.
Sources
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