- InChI
- InChI=1S/C23H38Cl2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-20-21-16-17-22(24)19-23(21)25/h16-17,19H,2-15,18,20H2,1H3
- InChI Key
- IVKTUGKMWWUJHF-UHFFFAOYSA-N
- Formula
- C23H38Cl2O
- SMILES
-
CCCCCCCCCCCCCCCCOCc1ccc(Cl)cc1
Cl - Molecular Weight1
- 401.45
- 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 | 1.0186 | Relay (1.0) Calculated Property | |
| ΔfusH° | 58.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.36 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.991 | Crippen Calculated Property | |
| McVol | 341.520 | ml/mol | McGowan Calculated Property |
| Pc | 966.87 | kPa | Joback Calculated Property |
| Inp | [2800.00; 2813.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Inp | 2806.00 | NIST | |
| Inp | 2812.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Inp | 2804.00 | NIST | |
| Inp | 2810.00 | NIST | |
| Inp | 2813.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Inp | 2808.00 | NIST | |
| Inp | 2813.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Inp | 2804.00 | NIST | |
| Inp | 2808.00 | NIST | |
| Tboil | 652.48 | K | Relay (1.0) Calculated Property |
| Tc | 869.42 | K | Relay (1.0) Calculated Property |
| Tfus | 297.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.291 | 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 | [483.46; 1116.36] | 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 | 2.79560e+01 | |||
| Coefficient B | 1.94132e+00 | |||
| Coefficient C | -1.05432e-03 | |||
| Coefficient D | 2.01400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 483.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 591.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 689.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 775.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 853.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 921.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 981.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1033.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1078.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1116.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005303; 0.0000668] | Pa×s | [482.50; 740.15] |
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 | -1.34939e+01 | |||
| Coefficient B | 2.87175e+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. | 482.50 | |||
| Temperature range, max. | 740.15 | |||
| η | 0.0005303 | Pa×s | 482.50 | Calculated Property |
| η | 0.0003800 | Pa×s | 511.13 | Calculated Property |
| η | 0.0002821 | Pa×s | 539.76 | Calculated Property |
| η | 0.0002157 | Pa×s | 568.38 | Calculated Property |
| η | 0.0001693 | Pa×s | 597.01 | Calculated Property |
| η | 0.0001359 | Pa×s | 625.64 | Calculated Property |
| η | 0.0001112 | Pa×s | 654.27 | Calculated Property |
| η | 0.0000925 | Pa×s | 682.89 | Calculated Property |
| η | 0.0000781 | Pa×s | 711.52 | Calculated Property |
| η | 0.0000668 | Pa×s | 740.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dichlorobenzyl hexadecyl ether.
Sources
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