- InChI
- InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
- InChI Key
- JDPKCYMVSKDOGS-UHFFFAOYSA-N
- Formula
- C10H6Cl2
- SMILES
- Clc1ccc(Cl)c2ccccc12
- Molecular Weight1
- 197.06
- CAS
- 1825-31-6
- Other Names
-
- 1,4-Dichloronaphthalene
- 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).
- 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 | 0.4050 | Relay (1.0) Calculated Property | |
| ΔfG° | 209.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 81.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.147 | Crippen Calculated Property | |
| McVol | 133.020 | ml/mol | McGowan Calculated Property |
| Pc | 3435.91 | kPa | Joback Calculated Property |
| Inp | [1620.00; 1620.00] |
|
|
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Tboil | 557.41 | K | Relay (1.0) Calculated Property |
| Tc | 817.61 | K | Relay (1.0) Calculated Property |
| Tfus | 340.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 58.70 | kJ/mol | 373.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.28; 336.39] | 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 | -1.71700e+01 | |||
| Coefficient B | 7.65800e-01 | |||
| Coefficient C | -5.94840e-04 | |||
| Coefficient D | 1.82600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 187.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 218.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 244.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 266.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 285.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 301.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 314.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 325.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 336.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014951; 0.0003554] | Pa×s | [340.65; 566.40] |
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 | -1.01105e+01 | |||
| Coefficient B | 1.22802e+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. | 340.65 | |||
| Temperature range, max. | 566.40 | |||
| η | 0.0014951 | Pa×s | 340.65 | Calculated Property |
| η | 0.0011676 | Pa×s | 365.73 | Calculated Property |
| η | 0.0009413 | Pa×s | 390.82 | Calculated Property |
| η | 0.0007788 | Pa×s | 415.90 | Calculated Property |
| η | 0.0006584 | Pa×s | 440.98 | Calculated Property |
| η | 0.0005667 | Pa×s | 466.06 | Calculated Property |
| η | 0.0004954 | Pa×s | 491.15 | Calculated Property |
| η | 0.0004387 | Pa×s | 516.23 | Calculated Property |
| η | 0.0003929 | Pa×s | 541.31 | Calculated Property |
| η | 0.0003554 | Pa×s | 566.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,4-dichloro-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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