- InChI
- InChI=1S/C2Cl2O2/c3-1(5)2(4)6
- InChI Key
- CTSLXHKWHWQRSH-UHFFFAOYSA-N
- Formula
- C2Cl2O2
- SMILES
- O=C(Cl)C(=O)Cl
- Molecular Weight1
- 126.93
- CAS
- 79-37-8
- Other Names
-
- (COCl)2
- Ethanedioyl chloride
- Ethanedioyl dichloride
- Oxalic acid dichloride
- Oxalic dichloride
- Oxaloyl chloride
- Oxalyl dichloride
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4070 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -417.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | -315.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.80 ± 6.30 | kJ/mol | NIST |
| ΔfH°liquid | -367.60 ± 4.70 | kJ/mol | NIST |
| ΔfusH° | 12.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.00 ± 4.00 | kJ/mol | NIST |
| IE | [10.91; 11.33] | eV |
|
| IE | 10.91 ± 0.05 | eV | NIST |
| IE | 11.33 | eV | NIST |
| IE | 11.26 | eV | NIST |
| logPoct/wat | 0.517 | Crippen Calculated Property | |
| McVol | 66.660 | ml/mol | McGowan Calculated Property |
| Pc | 5422.51 | kPa | Joback Calculated Property |
| Tboil | 365.57 | K | Relay (1.0) Calculated Property |
| Tc | 605.60 | K | Relay (1.0) Calculated Property |
| Tfus | 261.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.259 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 336.70 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [76.57; 117.09] | 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 | 4.15700e+01 | |||
| Coefficient B | 1.51400e-01 | |||
| Coefficient C | -8.84000e-05 | |||
| Coefficient D | 1.25200e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 76.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 84.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 91.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 97.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 103.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 107.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 110.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 113.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 115.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 117.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037761; 0.0004477] | Pa×s | [261.15; 448.33] |
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 | -1.06864e+01 | |||
| Coefficient B | 1.33378e+03 | |||
| 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. | 261.15 | |||
| Temperature range, max. | 448.33 | |||
| η | 0.0037761 | Pa×s | 261.15 | Calculated Property |
| η | 0.0025908 | Pa×s | 281.95 | Calculated Property |
| η | 0.0018719 | Pa×s | 302.75 | Calculated Property |
| η | 0.0014103 | Pa×s | 323.54 | Calculated Property |
| η | 0.0010994 | Pa×s | 344.34 | Calculated Property |
| η | 0.0008818 | Pa×s | 365.14 | Calculated Property |
| η | 0.0007242 | Pa×s | 385.94 | Calculated Property |
| η | 0.0006069 | Pa×s | 406.73 | Calculated Property |
| η | 0.0005174 | Pa×s | 427.53 | Calculated Property |
| η | 0.0004477 | Pa×s | 448.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxalyl chloride.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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