- InChI
- InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H
- InChI Key
- NAQWICRLNQSPPW-UHFFFAOYSA-N
- Formula
- C10H4Cl4
- SMILES
- Clc1c(Cl)c(Cl)c2ccccc2c1Cl
- Molecular Weight1
- 265.95
- CAS
- 20020-02-4
- Other Names
-
- 1,2,3,4-tetrachloronaphthalene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.4817 | Relay (1.0) Calculated Property | |
| ΔfG° | 166.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 73.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.53 | kJ/mol | Evaluation of entropies of fusion of polychlorinated naphthalenes by model congeners: A DSC study |
| ΔvapH° | 80.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.453 | Crippen Calculated Property | |
| McVol | 157.500 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Inp | [2018.00; 2018.00] |
|
|
| Inp | 2018.00 | NIST | |
| Inp | 2018.00 | NIST | |
| Tboil | 618.32 | K | Relay (1.0) Calculated Property |
| Tc | 884.28 | K | Relay (1.0) Calculated Property |
| Tfus | 471.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 11.54 | kJ/mol | 470.80 | NIST |
| ΔvapH | 73.20 | kJ/mol | 373.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.19; 346.85] | 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 | 3.72100e+01 | |||
| Coefficient B | 6.60400e-01 | |||
| Coefficient C | -5.01560e-04 | |||
| Coefficient D | 1.50800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 214.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 241.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 264.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 301.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 315.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 327.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 337.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 346.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008296; 0.0003756] | Pa×s | [471.15; 631.80] |
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 | -1.02107e+01 | |||
| Coefficient B | 1.46814e+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. | 471.15 | |||
| Temperature range, max. | 631.80 | |||
| η | 0.0008296 | Pa×s | 471.15 | Calculated Property |
| η | 0.0007404 | Pa×s | 489.00 | Calculated Property |
| η | 0.0006661 | Pa×s | 506.85 | Calculated Property |
| η | 0.0006036 | Pa×s | 524.70 | Calculated Property |
| η | 0.0005505 | Pa×s | 542.55 | Calculated Property |
| η | 0.0005050 | Pa×s | 560.40 | Calculated Property |
| η | 0.0004658 | Pa×s | 578.25 | Calculated Property |
| η | 0.0004317 | Pa×s | 596.10 | Calculated Property |
| η | 0.0004019 | Pa×s | 613.95 | Calculated Property |
| η | 0.0003756 | Pa×s | 631.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,3,4-tetrachloro-.
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
- Crippen Method
- Evaluation of entropies of fusion of polychlorinated naphthalenes by model congeners: A DSC study
- Joback Method
- McGowan Method
- NIST Webbook
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