- InChI
- InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h1-4H/b3-1+,4-2?
- InChI Key
- LDZSRRMBFGBOAE-ZPUQHVIOSA-N
- Formula
- C4H4Cl2
- SMILES
- Cl/C=C/C=C/Cl
- Molecular Weight1
- 122.98
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2353 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 55.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.491 | Crippen Calculated Property | |
| McVol | 83.100 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Inp | [827.00; 827.00] |
|
|
| Inp | 827.00 | NIST | |
| Inp | 827.00 | NIST | |
| Tboil | 414.91 | K | Relay (1.0) Calculated Property |
| Tc | 597.68 | K | Relay (1.0) Calculated Property |
| Tfus | 275.30 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [89.14; 181.07] | 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 | -3.33000e+00 | |||
| Coefficient B | 4.37400e-01 | |||
| Coefficient C | -4.02200e-04 | |||
| Coefficient D | 1.49200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 89.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 107.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 123.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 135.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 146.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 154.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 162.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 168.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 174.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 181.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034722; 0.0001928] | Pa×s | [184.52; 403.85] |
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 | -1.09860e+01 | |||
| Coefficient B | 9.82200e+02 | |||
| 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. | 184.52 | |||
| Temperature range, max. | 403.85 | |||
| η | 0.0034722 | Pa×s | 184.52 | Calculated Property |
| η | 0.0018660 | Pa×s | 208.89 | Calculated Property |
| η | 0.0011418 | Pa×s | 233.26 | Calculated Property |
| η | 0.0007666 | Pa×s | 257.63 | Calculated Property |
| η | 0.0005515 | Pa×s | 282.00 | Calculated Property |
| η | 0.0004180 | Pa×s | 306.37 | Calculated Property |
| η | 0.0003301 | Pa×s | 330.74 | Calculated Property |
| η | 0.0002692 | Pa×s | 355.11 | Calculated Property |
| η | 0.0002254 | Pa×s | 379.48 | Calculated Property |
| η | 0.0001928 | Pa×s | 403.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butadiene, 1,4-dichloro-.
Sources
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