- InChI
- InChI=1S/C3H6Cl2O/c1-3(4,5)6-2/h1-2H3
- InChI Key
- ASXWDPUCYBGLRG-UHFFFAOYSA-N
- Formula
- C3H6Cl2O
- SMILES
- COC(C)(Cl)Cl
- Molecular Weight1
- 128.99
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.2613 | Relay (1.0) Calculated Property | |
| ΔfG° | -151.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.784 | Crippen Calculated Property | |
| McVol | 83.480 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Inp | [684.00; 684.00] |
|
|
| Inp | 684.00 | NIST | |
| Inp | 684.00 | NIST | |
| Tboil | 364.74 | K | Relay (1.0) Calculated Property |
| Tc | 563.75 | K | Relay (1.0) Calculated Property |
| Tfus | 189.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.313 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.88; 210.61] | 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 | 2.69700e+01 | |||
| Coefficient B | 3.65040e-01 | |||
| Coefficient C | -2.41000e-04 | |||
| Coefficient D | 5.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 128.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 144.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 159.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 171.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 182.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 191.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 198.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 205.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 210.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052591; 0.0002842] | Pa×s | [208.06; 390.84] |
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 | -1.14873e+01 | |||
| Coefficient B | 1.29819e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 208.06 | |||
| Temperature range, max. | 390.84 | |||
| η | 0.0052591 | Pa×s | 208.06 | Calculated Property |
| η | 0.0030195 | Pa×s | 228.37 | Calculated Property |
| η | 0.0018981 | Pa×s | 248.68 | Calculated Property |
| η | 0.0012798 | Pa×s | 268.99 | Calculated Property |
| η | 0.0009120 | Pa×s | 289.29 | Calculated Property |
| η | 0.0006795 | Pa×s | 309.60 | Calculated Property |
| η | 0.0005249 | Pa×s | 329.91 | Calculated Property |
| η | 0.0004178 | Pa×s | 350.22 | Calculated Property |
| η | 0.0003410 | Pa×s | 370.53 | Calculated Property |
| η | 0.0002842 | Pa×s | 390.84 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 1,1-dichloroethyl ether.
Sources
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