- InChI
- InChI=1S/C7H6Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
- InChI Key
- WKKHCCZLKYKUDN-UHFFFAOYSA-N
- Formula
- C7H6Cl2O
- SMILES
- OCc1c(Cl)cccc1Cl
- Molecular Weight1
- 177.03
- Other Names
-
- (2,6-dichlorophenyl)methanol
- 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 | 0.5997 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Aq. Solubility Prediction | |
| logPoct/wat | 2.486 | Crippen Calculated Property | |
| McVol | 116.080 | ml/mol | McGowan Calculated Property |
| Pc | 4051.80 | kPa | Joback Calculated Property |
| Tboil | 536.27 | K | Relay (1.0) Calculated Property |
| Tc | 788.71 | K | Relay (1.0) Calculated Property |
| Tfus | [370.65; 370.65] | K |
|
| Tfus | 370.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 370.65 | K | Aq. Solubility Prediction |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.13; 291.07] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.22910e+01 | |||
| Coefficient B | 5.18500e-01 | |||
| Coefficient C | -3.25320e-04 | |||
| Coefficient D | 7.56000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 213.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 231.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 247.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 261.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 282.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 291.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018614; 0.0001471] | Pa×s | [370.65; 543.11] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.42797e+01 | |||
| Coefficient B | 2.96269e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 370.65 | |||
| Temperature range, max. | 543.11 | |||
| η | 0.0018614 | Pa×s | 370.65 | Calculated Property |
| η | 0.0012566 | Pa×s | 389.81 | Calculated Property |
| η | 0.0008801 | Pa×s | 408.97 | Calculated Property |
| η | 0.0006364 | Pa×s | 428.14 | Calculated Property |
| η | 0.0004731 | Pa×s | 447.30 | Calculated Property |
| η | 0.0003604 | Pa×s | 466.46 | Calculated Property |
| η | 0.0002805 | Pa×s | 485.62 | Calculated Property |
| η | 0.0002225 | Pa×s | 504.78 | Calculated Property |
| η | 0.0001795 | Pa×s | 523.95 | Calculated Property |
| η | 0.0001471 | Pa×s | 543.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dichlorobenzyl alcohol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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