- InChI
- InChI=1S/C8H8Cl2/c1-2-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3
- InChI Key
- LAGWZWJDSQHXQZ-UHFFFAOYSA-N
- Formula
- C8H8Cl2
- SMILES
- CCc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 175.06
- CAS
- 6623-59-2
- Other Names
-
- 3,4-Dichloroethylbenzene
- 1,2-Dichloro-4-ethylbenzene
- 3,4-Dichloro-1-ethylbenzene
- 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).
- Pvap : Vapor 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 | 0.3751 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.556 | Crippen Calculated Property | |
| McVol | 124.300 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Tboil | 486.47 | K | Relay (1.0) Calculated Property |
| Tc | 717.31 | K | Relay (1.0) Calculated Property |
| Tfus | 241.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.30 | kJ/mol | 410.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.85; 323.99] | 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 | 1.60910e+01 | |||
| Coefficient B | 5.79520e-01 | |||
| Coefficient C | -3.49320e-04 | |||
| Coefficient D | 7.77000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 232.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 253.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 272.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 288.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 302.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 313.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 323.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017277; 0.0002488] | Pa×s | [291.22; 503.87] |
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 | -1.09529e+01 | |||
| Coefficient B | 1.33726e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 291.22 | |||
| Temperature range, max. | 503.87 | |||
| η | 0.0017277 | Pa×s | 291.22 | Calculated Property |
| η | 0.0012241 | Pa×s | 314.85 | Calculated Property |
| η | 0.0009100 | Pa×s | 338.48 | Calculated Property |
| η | 0.0007032 | Pa×s | 362.10 | Calculated Property |
| η | 0.0005609 | Pa×s | 385.73 | Calculated Property |
| η | 0.0004591 | Pa×s | 409.36 | Calculated Property |
| η | 0.0003842 | Pa×s | 432.99 | Calculated Property |
| η | 0.0003274 | Pa×s | 456.61 | Calculated Property |
| η | 0.0002835 | Pa×s | 480.24 | Calculated Property |
| η | 0.0002488 | Pa×s | 503.87 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 100.68] | kPa | [320.00; 499.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.66016e+01 | |||
| Coefficient B | -6.05760e+03 | |||
| Coefficient C | 5.43700e+00 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 320.00 | |||
| Temperature range, max. | 499.80 | |||
| Pvap | 0.13 | kPa | 320.00 | Calculated Property |
| Pvap | 0.39 | kPa | 339.98 | Calculated Property |
| Pvap | 1.02 | kPa | 359.96 | Calculated Property |
| Pvap | 2.42 | kPa | 379.93 | Calculated Property |
| Pvap | 5.25 | kPa | 399.91 | Calculated Property |
| Pvap | 10.58 | kPa | 419.89 | Calculated Property |
| Pvap | 20.05 | kPa | 439.87 | Calculated Property |
| Pvap | 35.96 | kPa | 459.84 | Calculated Property |
| Pvap | 61.46 | kPa | 479.82 | Calculated Property |
| Pvap | 100.68 | kPa | 499.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-dichloro-4-ethyl-.
Sources
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