- InChI
- InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
- InChI Key
- XMAWUPHYEABFDR-UHFFFAOYSA-N
- Formula
- C14H8Cl2O2
- SMILES
-
O=C(C(=O)c1ccc(Cl)cc1)c1ccc(Cl
)cc1 - Molecular Weight1
- 279.12
- CAS
- 3457-46-3
- Other Names
-
- bis(4-chlorophenyl)ethanedione
- 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 | 0.6259 | Relay (1.0) Calculated Property | |
| ΔfG° | -9.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.059 | Crippen Calculated Property | |
| McVol | 188.220 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Tboil | 628.93 | K | Relay (1.0) Calculated Property |
| Tc | 901.74 | K | Relay (1.0) Calculated Property |
| Tfus | 436.26 | 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,gas | [446.04; 496.40] | J/mol×K | [765.64; 1023.86] | 
|
| Cp,gas | 446.04 | J/mol×K | 765.64 | Joback Calculated Property |
| Cp,gas | 456.87 | J/mol×K | 808.68 | Joback Calculated Property |
| Cp,gas | 466.62 | J/mol×K | 851.71 | Joback Calculated Property |
| Cp,gas | 475.38 | J/mol×K | 894.75 | Joback Calculated Property |
| Cp,gas | 483.21 | J/mol×K | 937.79 | Joback Calculated Property |
| Cp,gas | 490.19 | J/mol×K | 980.83 | Joback Calculated Property |
| Cp,gas | 496.40 | J/mol×K | 1023.86 | Joback Calculated Property |
| η | [0.0001674; 0.0010475] | Pa×s | [485.12; 765.64] |
|
| η | 0.0010475 | Pa×s | 485.12 | Joback Calculated Property |
| η | 0.0006746 | Pa×s | 531.87 | Joback Calculated Property |
| η | 0.0004665 | Pa×s | 578.63 | Joback Calculated Property |
| η | 0.0003409 | Pa×s | 625.38 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 672.13 | Joback Calculated Property |
| η | 0.0002057 | Pa×s | 718.89 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 765.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-p'-dichloro-benzil.
Sources
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