- InChI
- InChI=1S/C13H6Cl6O2/c14-6-2-8(16)10(18)12(20)4(6)1-5-7(15)3-9(17)11(19)13(5)21/h2-3,20-21H,1H2
- InChI Key
- SPFVBVIRMDLUJI-UHFFFAOYSA-N
- Formula
- C13H4Cl6O2
- SMILES
-
Oc1c(Cl)c(Cl)cc(Cl)c1Cc1c(Cl)c
c(Cl)c(Cl)c1O - Molecular Weight1
- 404.89
- CAS
- 19386-45-9
- Other Names
-
- 2,2'-Methylenebis(3,5,6-trichlorophenol)
- 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 | 0.8512 | Relay (... Calculated Property | |
| ΔfG° | -155.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 51.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.32 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -6.77 | Relay (... Calculated Property | |
| logPoct/wat | 6.609 | Crippen Calculated Property | |
| McVol | 231.690 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Tboil | 618.98 | K | Relay (... Calculated Property |
| Tc | 1023.54 | K | Relay (... Calculated Property |
| Tfus | 437.35 | K | Relay (... Calculated Property |
| Vc | 0.805 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [522.06; 591.71] | J/mol×K | [965.90; 1239.16] | 
|
| Cp,gas | 522.06 | J/mol×K | 965.90 | Joback Calculated Property |
| Cp,gas | 531.63 | J/mol×K | 1011.44 | Joback Calculated Property |
| Cp,gas | 541.74 | J/mol×K | 1056.99 | Joback Calculated Property |
| Cp,gas | 552.60 | J/mol×K | 1102.53 | Joback Calculated Property |
| Cp,gas | 564.41 | J/mol×K | 1148.07 | Joback Calculated Property |
| Cp,gas | 577.38 | J/mol×K | 1193.62 | Joback Calculated Property |
| Cp,gas | 591.71 | J/mol×K | 1239.16 | Joback Calculated Property |
| η | [0.0000002; 0.0000012] | Pa×s | [767.19; 965.90] |
|
| η | 0.0000012 | Pa×s | 767.19 | Joback Calculated Property |
| η | 0.0000008 | Pa×s | 800.31 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 833.43 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 866.55 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 899.66 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 932.78 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 965.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,2'-methylenebis(3,5,6-trichloro-.
Sources
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