- InChI
- InChI=1S/C18H28Cl2O/c1-2-3-4-5-6-7-8-9-10-13-21-15-16-11-12-17(19)14-18(16)20/h11-12,14H,2-10,13,15H2,1H3
- InChI Key
- OSOLFCOGEAVEPG-UHFFFAOYSA-N
- Formula
- C18H28Cl2O
- SMILES
- CCCCCCCCCCCOCc1ccc(Cl)cc1Cl
- Molecular Weight1
- 331.33
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 | 0.8402 | Relay (1.0) Calculated Property | |
| ΔfusH° | 45.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.29 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.041 | Crippen Calculated Property | |
| McVol | 271.070 | ml/mol | McGowan Calculated Property |
| Pc | 1335.88 | kPa | Joback Calculated Property |
| Inp | [2274.00; 2287.00] |
|
|
| Inp | 2275.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2274.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Tboil | 618.90 | K | Relay (1.0) Calculated Property |
| Tc | 833.44 | K | Relay (1.0) Calculated Property |
| Tfus | 280.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.017 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, 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 | [377.39; 858.40] | 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 | 3.25010e+01 | |||
| Coefficient B | 1.46632e+00 | |||
| Coefficient C | -7.82320e-04 | |||
| Coefficient D | 1.41900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 377.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 459.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 533.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 599.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 658.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 710.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 756.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 795.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 829.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 858.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008615; 0.0001182] | Pa×s | [426.15; 658.18] |
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 | -1.26909e+01 | |||
| Coefficient B | 2.40095e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 426.15 | |||
| Temperature range, max. | 658.18 | |||
| η | 0.0008615 | Pa×s | 426.15 | Calculated Property |
| η | 0.0006247 | Pa×s | 451.93 | Calculated Property |
| η | 0.0004690 | Pa×s | 477.71 | Calculated Property |
| η | 0.0003626 | Pa×s | 503.49 | Calculated Property |
| η | 0.0002874 | Pa×s | 529.27 | Calculated Property |
| η | 0.0002328 | Pa×s | 555.06 | Calculated Property |
| η | 0.0001921 | Pa×s | 580.84 | Calculated Property |
| η | 0.0001612 | Pa×s | 606.62 | Calculated Property |
| η | 0.0001372 | Pa×s | 632.40 | Calculated Property |
| η | 0.0001182 | Pa×s | 658.18 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dichlorobenzyl undecyl ether.
Sources
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