- InChI
- InChI=1S/C22H36Cl2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-19-20-15-16-21(23)18-22(20)24/h15-16,18H,2-14,17,19H2,1H3
- InChI Key
- DQOSXTYICPYLDO-UHFFFAOYSA-N
- Formula
- C22H36Cl2O
- SMILES
-
CCCCCCCCCCCCCCCOCc1ccc(Cl)cc1C
l - Molecular Weight1
- 387.43
- 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 | 0.9831 | Relay (1.0) Calculated Property | |
| ΔfusH° | 55.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.99 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.601 | Crippen Calculated Property | |
| McVol | 327.430 | ml/mol | McGowan Calculated Property |
| Pc | 1027.28 | kPa | Joback Calculated Property |
| Inp | [2693.00; 2706.00] |
|
|
| Inp | 2693.00 | NIST | |
| Inp | 2696.00 | NIST | |
| Inp | 2704.00 | NIST | |
| Inp | 2705.00 | NIST | |
| Inp | 2693.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Inp | 2705.00 | NIST | |
| Inp | 2706.00 | NIST | |
| Inp | 2695.00 | NIST | |
| Inp | 2698.00 | NIST | |
| Inp | 2702.00 | NIST | |
| Inp | 2705.00 | NIST | |
| Inp | 2693.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Inp | 2702.00 | NIST | |
| Tboil | 646.06 | K | Relay (1.0) Calculated Property |
| Tc | 862.69 | K | Relay (1.0) Calculated Property |
| Tfus | 294.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.236 | 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 | [462.24; 1064.76] | 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 | 2.88650e+01 | |||
| Coefficient B | 1.84632e+00 | |||
| Coefficient C | -9.99920e-04 | |||
| Coefficient D | 1.89500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 462.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 565.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 657.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 740.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 814.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 879.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 936.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 985.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1028.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1064.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005896; 0.0000758] | Pa×s | [471.23; 722.81] |
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 | -1.33305e+01 | |||
| Coefficient B | 2.77759e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 471.23 | |||
| Temperature range, max. | 722.81 | |||
| η | 0.0005896 | Pa×s | 471.23 | Calculated Property |
| η | 0.0004238 | Pa×s | 499.18 | Calculated Property |
| η | 0.0003155 | Pa×s | 527.14 | Calculated Property |
| η | 0.0002420 | Pa×s | 555.09 | Calculated Property |
| η | 0.0001904 | Pa×s | 583.04 | Calculated Property |
| η | 0.0001531 | Pa×s | 611.00 | Calculated Property |
| η | 0.0001255 | Pa×s | 638.95 | Calculated Property |
| η | 0.0001046 | Pa×s | 666.90 | Calculated Property |
| η | 0.0000884 | Pa×s | 694.86 | Calculated Property |
| η | 0.0000758 | Pa×s | 722.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dichlorobenzyl pentadecyl ether.
Sources
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