- InChI
- InChI=1S/C16H14O2/c1-11-7-3-5-9-13(11)15(17)16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3
- InChI Key
- QGVJJXJRGYQAST-UHFFFAOYSA-N
- Formula
- C16H14O2
- SMILES
- Cc1ccccc1C(=O)C(=O)c1ccccc1C
- Molecular Weight1
- 238.29
- 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).
- 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 | 0.6245 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -123.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.369 | Crippen Calculated Property | |
| McVol | 191.920 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Tboil | 610.22 | K | Relay (1.0) Calculated Property |
| Tc | 883.11 | K | Relay (1.0) Calculated Property |
| Tfus | 371.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.706 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.34; 579.69] | 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 | -3.61500e+01 | |||
| Coefficient B | 1.19104e+00 | |||
| Coefficient C | -7.37520e-04 | |||
| Coefficient D | 1.62320e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 355.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 403.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 446.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 482.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 513.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 539.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 561.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 579.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011624; 0.0001992] | Pa×s | [447.82; 686.23] |
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 | -1.18345e+01 | |||
| Coefficient B | 2.27370e+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. | 447.82 | |||
| Temperature range, max. | 686.23 | |||
| η | 0.0011624 | Pa×s | 447.82 | Calculated Property |
| η | 0.0008754 | Pa×s | 474.31 | Calculated Property |
| η | 0.0006793 | Pa×s | 500.80 | Calculated Property |
| η | 0.0005408 | Pa×s | 527.29 | Calculated Property |
| η | 0.0004400 | Pa×s | 553.78 | Calculated Property |
| η | 0.0003648 | Pa×s | 580.27 | Calculated Property |
| η | 0.0003074 | Pa×s | 606.76 | Calculated Property |
| η | 0.0002628 | Pa×s | 633.25 | Calculated Property |
| η | 0.0002275 | Pa×s | 659.74 | Calculated Property |
| η | 0.0001992 | Pa×s | 686.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanedione, 1,2-bis(2-methylphenyl)-.
Sources
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