- InChI
- InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
- InChI Key
- ACGUYXCXAPNIKK-UHFFFAOYSA-N
- Formula
- C13H6Cl6O2
- SMILES
-
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(
Cl)cc(Cl)c1Cl - Molecular Weight1
- 406.90
- CAS
- 70-30-4
- Other Names
-
- Phenol, 2,2'-methylenebis[3,4,6-trichloro-
- pHisoHex
- Acigena
- Almederm
- AT-7
- B 32
- Bis(2-Hydroxy-3,5,6-trichlorophenyl)methane
- Bis(3,5,6-trichloro-2-hydroxyphenyl)methane
- Compound G-11
- Cotofilm
- Distodin
- Exofene
- Fesia-sin
- Fostril
- G-11
- Gamophen
- Gamophene
- Germa-Medica
- Hexabalm
- Hexachlorofen
- Hexachlorophen
- Hexafen
- Hexophene
- Hexosan
- Nabac
- Neosept V
- Ritosept
- Septisol
- Septofen
- Steral
- Steraskin
- Surgi-Cen
- Surofene
- Tersaseptic
- Trichlorophene
- 2,2'-Dihydroxy-3,3',5,5',6,6'-hexachlorodiphenylmethane
- 2,2'-Methylenebis[3,4,6-trichlorophenol]
- 2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane
- AT-17
- Bis-2,3,5-trichlor-6-hydroxyfenylmethan
- Dermadex
- Fomac
- G-Eleven
- Hexachlorophane
- Hexide
- HCP
- Methane, bis(2,3,5-trichloro-6-hydroxyphenyl)
- NCI-C02653
- Phisodan
- Surgi-Cin
- Turgex
- 2,2'-Dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane
- Bilevon
- G-II
- Isobac
- Isobac 20
- Nabac 25 EC
- RCRA Waste number U132
- UN 2875
- Bivelon
- Fascol
- Soy-Dome
- Ster-zac
- Bis[3,4,6-trichlorophenol], 2,2'-methylene-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -155.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.78 | Crippen Calculated Property | |
| logPoct/wat | 6.609 | Crippen Calculated Property | |
| McVol | 231.690 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [2750.00; 2815.00] |
|
|
| Inp | 2750.00 | NIST | |
| Inp | 2815.00 | NIST | |
| Inp | 2807.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Inp | 2807.00 | NIST | |
| Tboil | 965.90 | K | Joback Calculated Property |
| Tc | 1239.16 | K | Joback Calculated Property |
| Tfus | [437.00; 438.20] | K |
|
| Tfus | 438.14 ± 0.20 | K | NIST |
| Tfus | 437.00 ± 1.00 | K | NIST |
| Tfus | 438.20 ± 0.20 | K | NIST |
| Vc | 0.773 | m3/kmol | Joback 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 |
| ΔfusH | [33.26; 33.26] | kJ/mol | [437.50; 437.60] |
|
| ΔfusH | 33.26 | kJ/mol | 437.50 | NIST |
| ΔfusH | 33.26 | kJ/mol | 437.60 | NIST |
Similar Compounds
Find more compounds similar to Hexachlorophene.
Sources
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