- InChI
- InChI=1S/C2Cl2/c3-1-2-4
- InChI Key
- ZMJOVJSTYLQINE-UHFFFAOYSA-N
- Formula
- C2Cl2
- SMILES
- ClC#CCl
- Molecular Weight1
- 94.93
- CAS
- 7572-29-4
- Other Names
-
- Acetylene, dichloro-
- Dichloroacetylene
- Dichloroethyne
- ClC«equiv»CCl
- C2Cl2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | 227.00 ± 14.00 | kJ/mol | NIST |
| ΔfH°liquid | 199.00 ± 14.00 | kJ/mol | NIST |
| ΔfusH° | 12.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.40 ± 1.20 | kJ/mol | NIST |
| IE | [9.90; 10.30] | eV |
|
| IE | 9.90 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 10.03 ± 0.01 | eV | NIST |
| IE | 10.00 | eV | NIST |
| IE | 10.30 ± 0.10 | eV | NIST |
| IE | 10.09 | eV | NIST |
| logPoct/wat | 1.382 | Crippen Calculated Property | |
| McVol | 54.920 | ml/mol | McGowan Calculated Property |
| Tfus | 147.15 ± 0.50 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [65.56; 82.48] | J/mol×K | [298.00; 1200.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.19496e+01 | |||
| Coefficient B | 3.53842e+01 | |||
| Coefficient C | -2.03897e+01 | |||
| Coefficient D | 4.48897e+00 | |||
| Coefficient E | -4.65554e-01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1200.00 | |||
| Cp,gas | 65.56 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 70.15 | J/mol×K | 398.22 | Calculated Property |
| Cp,gas | 73.20 | J/mol×K | 498.44 | Calculated Property |
| Cp,gas | 75.49 | J/mol×K | 598.67 | Calculated Property |
| Cp,gas | 77.30 | J/mol×K | 698.89 | Calculated Property |
| Cp,gas | 78.77 | J/mol×K | 799.11 | Calculated Property |
| Cp,gas | 79.97 | J/mol×K | 899.33 | Calculated Property |
| Cp,gas | 80.96 | J/mol×K | 999.56 | Calculated Property |
| Cp,gas | 81.79 | J/mol×K | 1099.78 | Calculated Property |
| Cp,gas | 82.48 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | [82.45; 87.07] | J/mol×K | [1200.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.48808e+01 | |||
| Coefficient B | 1.28415e+00 | |||
| Coefficient C | -2.49917e-01 | |||
| Coefficient D | 1.67980e-02 | |||
| Coefficient E | -5.24427e+00 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 1200.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 82.45 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | 84.70 | J/mol×K | 1733.33 | Calculated Property |
| Cp,gas | 85.68 | J/mol×K | 2266.67 | Calculated Property |
| Cp,gas | 86.22 | J/mol×K | 2800.00 | Calculated Property |
| Cp,gas | 86.53 | J/mol×K | 3333.33 | Calculated Property |
| Cp,gas | 86.73 | J/mol×K | 3866.67 | Calculated Property |
| Cp,gas | 86.85 | J/mol×K | 4400.00 | Calculated Property |
| Cp,gas | 86.93 | J/mol×K | 4933.33 | Calculated Property |
| Cp,gas | 87.00 | J/mol×K | 5466.67 | Calculated Property |
| Cp,gas | 87.07 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyne, dichloro-.
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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