- InChI
- InChI=1S/C19H30Cl2O/c1-2-3-4-5-6-7-8-9-10-11-14-22-16-17-12-13-18(20)15-19(17)21/h12-13,15H,2-11,14,16H2,1H3
- InChI Key
- ARUQYUYQEGAQHW-UHFFFAOYSA-N
- Formula
- C19H30Cl2O
- SMILES
- CCCCCCCCCCCCOCc1ccc(Cl)cc1Cl
- Molecular Weight1
- 345.35
- 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 | 0.8761 | Relay (1.0) Calculated Property | |
| ΔfusH° | 47.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.77 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.431 | Crippen Calculated Property | |
| McVol | 285.160 | ml/mol | McGowan Calculated Property |
| Pc | 1246.85 | kPa | Joback Calculated Property |
| Inp | [2378.00; 2393.00] |
|
|
| Inp | 2378.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Inp | 2378.00 | NIST | |
| Inp | 2384.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Inp | 2393.00 | NIST | |
| Inp | 2379.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Inp | 2388.00 | NIST | |
| Inp | 2393.00 | NIST | |
| Inp | 2378.00 | NIST | |
| Inp | 2386.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Inp | 2393.00 | NIST | |
| Tboil | 626.03 | K | Relay (1.0) Calculated Property |
| Tc | 841.13 | K | Relay (1.0) Calculated Property |
| Tfus | 284.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.072 | 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 | [398.60; 909.99] | 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 | 3.15920e+01 | |||
| Coefficient B | 1.56132e+00 | |||
| Coefficient C | -8.36720e-04 | |||
| Coefficient D | 1.53800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 398.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 486.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 564.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 635.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 697.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 752.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 801.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 843.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 879.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 909.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007894; 0.0001068] | Pa×s | [437.42; 673.70] |
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 | -1.28484e+01 | |||
| Coefficient B | 2.49511e+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. | 437.42 | |||
| Temperature range, max. | 673.70 | |||
| η | 0.0007894 | Pa×s | 437.42 | Calculated Property |
| η | 0.0005715 | Pa×s | 463.67 | Calculated Property |
| η | 0.0004283 | Pa×s | 489.93 | Calculated Property |
| η | 0.0003306 | Pa×s | 516.18 | Calculated Property |
| η | 0.0002616 | Pa×s | 542.43 | Calculated Property |
| η | 0.0002116 | Pa×s | 568.69 | Calculated Property |
| η | 0.0001743 | Pa×s | 594.94 | Calculated Property |
| η | 0.0001460 | Pa×s | 621.19 | Calculated Property |
| η | 0.0001241 | Pa×s | 647.45 | Calculated Property |
| η | 0.0001068 | Pa×s | 673.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dichlorobenzyl dodecyl ether.
Sources
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