- InChI
- InChI=1S/CCl2/c2-1-3
- InChI Key
- PFBUKDPBVNJDEW-UHFFFAOYSA-N
- Formula
- CCl2
- SMILES
- Cl[C]Cl
- Molecular Weight1
- 82.92
- CAS
- 1605-72-7
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation 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).
- Tboil : Normal Boiling Point 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 |
|---|---|---|---|
| PAff | 861.00 | kJ/mol | NIST |
| BasG | 828.50 | kJ/mol | NIST |
| EA | [1.59; 2.50] | eV |
|
| EA | 1.59 ± 0.01 | eV | NIST |
| EA | 1.66 ± 0.14 | eV | NIST |
| EA | 1.59 ± 0.07 | eV | NIST |
| EA | 1.60 ± 0.01 | eV | NIST |
| EA | 1.80 ± 0.30 | eV | NIST |
| EA | Outlier 2.50 ± 0.60 | eV | NIST |
| ΔfH°gas | 76.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 19.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.27; 9.76] | eV |
|
| IE | 9.27 ± 0.04 | eV | NIST |
| IE | 9.76 | eV | NIST |
| logPoct/wat | 1.460 | Crippen Calculated Property | |
| McVol | 45.130 | ml/mol | McGowan Calculated Property |
| Tboil | 282.30 | K | Relay (1.0) Calculated Property |
| Tfus | 230.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [46.17; 65.61] | J/mol×K | [298.00; 1700.00] |
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 | 5.52058e+01 | |||
| Coefficient B | -6.43499e+00 | |||
| Coefficient C | 1.64699e+01 | |||
| Coefficient D | -5.29050e+00 | |||
| Coefficient E | -7.49371e-01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1700.00 | |||
| Cp,gas | 46.17 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 51.54 | J/mol×K | 453.78 | Calculated Property |
| Cp,gas | 54.19 | J/mol×K | 609.56 | Calculated Property |
| Cp,gas | 56.28 | J/mol×K | 765.33 | Calculated Property |
| Cp,gas | 58.23 | J/mol×K | 921.11 | Calculated Property |
| Cp,gas | 60.12 | J/mol×K | 1076.89 | Calculated Property |
| Cp,gas | 61.90 | J/mol×K | 1232.67 | Calculated Property |
| Cp,gas | 63.47 | J/mol×K | 1388.44 | Calculated Property |
| Cp,gas | 64.75 | J/mol×K | 1544.22 | Calculated Property |
| Cp,gas | 65.61 | J/mol×K | 1700.00 | Calculated Property |
| Cp,gas | [65.58; 60.79] | J/mol×K | [1700.00; 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 | 1.01220e+02 | |||
| Coefficient B | -1.82331e+01 | |||
| Coefficient C | 2.95606e+00 | |||
| Coefficient D | -1.68778e-01 | |||
| Coefficient E | -3.57274e+01 | |||
| Reference | Chase, 1998 | |||
| Temperature range, min. | 1700.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 65.58 | J/mol×K | 1700.00 | Calculated Property |
| Cp,gas | 66.26 | J/mol×K | 2177.78 | Calculated Property |
| Cp,gas | 65.42 | J/mol×K | 2655.56 | Calculated Property |
| Cp,gas | 64.28 | J/mol×K | 3133.33 | Calculated Property |
| Cp,gas | 63.24 | J/mol×K | 3611.11 | Calculated Property |
| Cp,gas | 62.41 | J/mol×K | 4088.89 | Calculated Property |
| Cp,gas | 61.82 | J/mol×K | 4566.67 | Calculated Property |
| Cp,gas | 61.40 | J/mol×K | 5044.44 | Calculated Property |
| Cp,gas | 61.08 | J/mol×K | 5522.22 | Calculated Property |
| Cp,gas | 60.79 | J/mol×K | 6000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Dichloromethylene.
Sources
- Cheméo Relay (1.0)
- 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
- McGowan Method
- NIST Webbook
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