- InChI
- InChI=1S/C6H6O2/c1-3-5(7)6(8)4-2/h3-4H,1-2H2
- InChI Key
- MMPZYDUOPLQDHR-UHFFFAOYSA-N
- Formula
- C6H6O2
- SMILES
- C=CC(=O)C(=O)C=C
- Molecular Weight1
- 110.11
- CAS
- 104910-78-3
- 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 | 0.4433 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.10; 9.32] | eV |
|
| IE | 9.10 | eV | NIST |
| IE | 9.32 | eV | NIST |
| log10WS | -0.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.497 | Crippen Calculated Property | |
| McVol | 89.940 | ml/mol | McGowan Calculated Property |
| Pc | 3985.56 | kPa | Joback Calculated Property |
| Tboil | 408.81 | K | Relay (1.0) Calculated Property |
| Tc | 624.64 | K | Relay (1.0) Calculated Property |
| Tfus | 284.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.24; 204.05] | J/mol×K | [437.98; 636.07] |
|
| Cp,gas | 162.24 | J/mol×K | 437.98 | Joback Calculated Property |
| Cp,gas | 170.26 | J/mol×K | 471.00 | Joback Calculated Property |
| Cp,gas | 177.83 | J/mol×K | 504.01 | Joback Calculated Property |
| Cp,gas | 184.98 | J/mol×K | 537.03 | Joback Calculated Property |
| Cp,gas | 191.73 | J/mol×K | 570.04 | Joback Calculated Property |
| Cp,gas | 198.08 | J/mol×K | 603.06 | Joback Calculated Property |
| Cp,gas | 204.05 | J/mol×K | 636.07 | Joback Calculated Property |
| η | [0.0003572; 0.0027802] | Pa×s | [253.72; 437.98] |
|
| η | 0.0027802 | Pa×s | 253.72 | Joback Calculated Property |
| η | 0.0016420 | Pa×s | 284.43 | Joback Calculated Property |
| η | 0.0010746 | Pa×s | 315.14 | Joback Calculated Property |
| η | 0.0007583 | Pa×s | 345.85 | Joback Calculated Property |
| η | 0.0005664 | Pa×s | 376.56 | Joback Calculated Property |
| η | 0.0004421 | Pa×s | 407.27 | Joback Calculated Property |
| η | 0.0003572 | Pa×s | 437.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexa-1,5-diene-3,4-dione.
Sources
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