- InChI
- InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3
- InChI Key
- QFMDFTQOJHFVNR-UHFFFAOYSA-N
- Formula
- C18H20Cl2
- SMILES
-
CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl
)cc1 - Molecular Weight1
- 307.26
- CAS
- 72-56-0
- Other Names
-
- 1,1'-(2,2-Dichloroethylidene)bis(4-ethylbenzene)
- 1,1-Bis(p-Ethylphenyl)-2,2-dichloroethane
- 1,1-Dichloro-2,2-bis(4-ethylphenyl)ethane
- 1,1-Dichloro-2,2-bis(p-ethylphenyl)ethane
- 1,1-bis-(4-Ethylphenyl)-2,2-dichloroethane
- 2,2-Bis(p-ethylphenyl)-1,1-dichloroethane
- 2,2-Dichloro-1,1-bis(p-ethylphenyl)ethane
- Di(p-ethylphenyl)dichloroethane
- Diethyl-diphenyl dichloroethane
- ENT-17082
- Ethane, 1,1-dichloro-2,2-bis(p-ethylphenyl)-
- Ethane, 2,2-bis(p-ethylphenyl)-1,1-dichloro-
- Ethylan
- NCI-C02868
- Perthane
- Q 137
- p,p'-Ethyl-ddd
- p,p-Ethyl ddd
- «alpha», «alpha»--Dichloro-2,2-bis(p-ethylphenyl)ethane
- 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).
- 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.
- I : 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 | 0.5771 | Relay (1.0) Calculated Property | |
| ΔfG° | 277.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.04 | Aq. Solubility Prediction | |
| logPoct/wat | 5.747 | Crippen Calculated Property | |
| McVol | 241.440 | ml/mol | McGowan Calculated Property |
| Pc | 1777.34 | kPa | Joback Calculated Property |
| Inp | [2167.00; 2232.00] |
|
|
| Inp | 2232.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Inp | 2167.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Inp | 2167.00 | NIST | |
| Inp | 2175.00 | NIST | |
| Inp | 2232.00 | NIST | |
| I | [3016.00; 3016.00] |
|
|
| I | 3016.00 | NIST | |
| I | 3016.00 | NIST | |
| Tboil | 630.53 | K | Relay (1.0) Calculated Property |
| Tc | 874.23 | K | Relay (1.0) Calculated Property |
| Tfus | [332.17; 333.00] | K |
|
| Tfus | 332.17 ± 0.20 | K | NIST |
| Tfus | 333.00 ± 0.20 | K | NIST |
| Vc | 0.862 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 23.34 | kJ/mol | 331.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.10; 722.45] | 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 | -3.02680e+01 | |||
| Coefficient B | 1.46244e+00 | |||
| Coefficient C | -9.30920e-04 | |||
| Coefficient D | 2.21200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 304.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 447.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 506.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 557.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 601.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 639.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 671.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 699.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 722.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047367; 0.0001147] | Pa×s | [332.59; 690.31] |
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 | -1.25323e+01 | |||
| Coefficient B | 2.38792e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 332.59 | |||
| Temperature range, max. | 690.31 | |||
| η | 0.0047367 | Pa×s | 332.59 | Calculated Property |
| η | 0.0022009 | Pa×s | 372.33 | Calculated Property |
| η | 0.0011856 | Pa×s | 412.08 | Calculated Property |
| η | 0.0007121 | Pa×s | 451.83 | Calculated Property |
| η | 0.0004645 | Pa×s | 491.57 | Calculated Property |
| η | 0.0003230 | Pa×s | 531.32 | Calculated Property |
| η | 0.0002362 | Pa×s | 571.07 | Calculated Property |
| η | 0.0001799 | Pa×s | 610.81 | Calculated Property |
| η | 0.0001417 | Pa×s | 650.56 | Calculated Property |
| η | 0.0001147 | Pa×s | 690.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-ethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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