- InChI
- InChI=1S/C6H12Cl2O/c1-3-4-9-5-6(2,7)8/h3-5H2,1-2H3
- InChI Key
- BXUMLQQVHWVSBX-UHFFFAOYSA-N
- Formula
- C6H12Cl2O
- SMILES
- CCCOCC(C)(Cl)Cl
- Molecular Weight1
- 171.06
- 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 | 0.3866 | Relay (1.0) Calculated Property | |
| ΔfG° | -126.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.607 | Crippen Calculated Property | |
| McVol | 125.750 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | [991.00; 991.00] |
|
|
| Inp | 991.00 | NIST | |
| Inp | 991.00 | NIST | |
| Tboil | 432.29 | K | Relay (1.0) Calculated Property |
| Tc | 632.78 | K | Relay (1.0) Calculated Property |
| Tfus | 208.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.52; 365.38] | 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 | 2.42430e+01 | |||
| Coefficient B | 6.50040e-01 | |||
| Coefficient C | -4.04200e-04 | |||
| Coefficient D | 9.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 207.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 264.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 288.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 308.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 326.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 341.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 354.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 365.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051604; 0.0002816] | Pa×s | [241.87; 435.83] |
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 | -1.18019e+01 | |||
| Coefficient B | 1.58067e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 241.87 | |||
| Temperature range, max. | 435.83 | |||
| η | 0.0051604 | Pa×s | 241.87 | Calculated Property |
| η | 0.0030233 | Pa×s | 263.42 | Calculated Property |
| η | 0.0019204 | Pa×s | 284.97 | Calculated Property |
| η | 0.0013003 | Pa×s | 306.52 | Calculated Property |
| η | 0.0009266 | Pa×s | 328.08 | Calculated Property |
| η | 0.0006885 | Pa×s | 349.63 | Calculated Property |
| η | 0.0005296 | Pa×s | 371.18 | Calculated Property |
| η | 0.0004192 | Pa×s | 392.73 | Calculated Property |
| η | 0.0003400 | Pa×s | 414.28 | Calculated Property |
| η | 0.0002816 | Pa×s | 435.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichloropropyl propyl ether.
Sources
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