- InChI
- InChI=1S/C16H16O6/c1-19-11-5-9(6-12(20-2)15(11)17)10-7-13(21-3)16(18)14(8-10)22-4/h5-8H,1-4H3
- InChI Key
- WASNBVDBYSQBPH-UHFFFAOYSA-N
- Formula
- C16H16O6
- SMILES
-
COC1=CC(=C2C=C(OC)C(=O)C(OC)=C
2)C=C(OC)C1=O - Molecular Weight1
- 304.29
- CAS
- 493-74-3
- Other Names
-
- Cerulignone
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 | 0.7029 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7496.10 | kJ/mol | NIST |
| ΔfG° | -425.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1084.00 | kJ/mol | NIST |
| ΔfusH° | 26.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.570 | Crippen Calculated Property | |
| McVol | 219.700 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Tboil | 627.16 | K | Relay (1.0) Calculated Property |
| Tc | 854.61 | K | Relay (1.0) Calculated Property |
| Tfus | 444.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.762 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.18; 711.75] | J/mol×K | [864.92; 1104.43] | 
|
| Cp,gas | 661.18 | J/mol×K | 864.92 | Joback Calculated Property |
| Cp,gas | 674.69 | J/mol×K | 904.84 | Joback Calculated Property |
| Cp,gas | 686.33 | J/mol×K | 944.76 | Joback Calculated Property |
| Cp,gas | 695.98 | J/mol×K | 984.68 | Joback Calculated Property |
| Cp,gas | 703.52 | J/mol×K | 1024.60 | Joback Calculated Property |
| Cp,gas | 708.81 | J/mol×K | 1064.52 | Joback Calculated Property |
| Cp,gas | 711.75 | J/mol×K | 1104.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3',5,5'-Tetramethoxy-4,4'-diphenoquinone.
Sources
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