- InChI
- InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D
- InChI Key
- OCJBOOLMMGQPQU-RHQRLBAQSA-N
- Formula
- C6D4Cl2
- SMILES
- Clc1ccc(Cl)cc1
- Molecular Weight1
- 151.03
- CAS
- 3855-82-1
- Other Names
-
- 1,4-Dichloro-2,3,5,6-tetradeuterobenzene
- Benzene, 1,4-dichloro-, [2H4]
- 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).
- 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 | 0.3153 | Relay (1.0) Calculated Property | |
| ΔfG° | 78.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.993 | Crippen Calculated Property | |
| McVol | 96.120 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Inp | [161.50; 161.50] |
|
|
| Inp | 161.50 | NIST | |
| Inp | 161.50 | NIST | |
| Tboil | 451.97 | K | Relay (1.0) Calculated Property |
| Tc | 663.30 | K | Relay (1.0) Calculated Property |
| Tfus | 331.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [104.87; 223.85] | 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 | 3.61000e+00 | |||
| Coefficient B | 4.49000e-01 | |||
| Coefficient C | -3.07560e-04 | |||
| Coefficient D | 7.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 104.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 127.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 147.11 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 164.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 178.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 191.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 201.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 210.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 217.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 223.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021588; 0.0002525] | Pa×s | [256.16; 472.62] |
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 | -1.08235e+01 | |||
| Coefficient B | 1.20020e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 256.16 | |||
| Temperature range, max. | 472.62 | |||
| η | 0.0021588 | Pa×s | 256.16 | Calculated Property |
| η | 0.0014440 | Pa×s | 280.21 | Calculated Property |
| η | 0.0010293 | Pa×s | 304.26 | Calculated Property |
| η | 0.0007710 | Pa×s | 328.31 | Calculated Property |
| η | 0.0006007 | Pa×s | 352.36 | Calculated Property |
| η | 0.0004832 | Pa×s | 376.41 | Calculated Property |
| η | 0.0003990 | Pa×s | 400.46 | Calculated Property |
| η | 0.0003367 | Pa×s | 424.52 | Calculated Property |
| η | 0.0002893 | Pa×s | 448.57 | Calculated Property |
| η | 0.0002525 | Pa×s | 472.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dichlorobenzene-D4.
Sources
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