- InChI
- InChI=1S/C21H34Cl2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24-18-19-14-15-20(22)17-21(19)23/h14-15,17H,2-13,16,18H2,1H3
- InChI Key
- HAAXOBRRZGCQCL-UHFFFAOYSA-N
- Formula
- C21H34Cl2O
- SMILES
- CCCCCCCCCCCCCCOCc1ccc(Cl)cc1Cl
- Molecular Weight1
- 373.40
- 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 | 0.9475 | Relay (1.0) Calculated Property | |
| ΔfusH° | 52.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.61 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.211 | Crippen Calculated Property | |
| McVol | 313.340 | ml/mol | McGowan Calculated Property |
| Pc | 1093.54 | kPa | Joback Calculated Property |
| Inp | [2588.00; 2600.00] |
|
|
| Inp | 2588.00 | NIST | |
| Inp | 2595.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2588.00 | NIST | |
| Inp | 2594.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2589.00 | NIST | |
| Inp | 2594.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Tboil | 639.56 | K | Relay (1.0) Calculated Property |
| Tc | 855.78 | K | Relay (1.0) Calculated Property |
| Tfus | 291.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.181 | 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 | [441.03; 1013.17] | 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 | 2.97740e+01 | |||
| Coefficient B | 1.75132e+00 | |||
| Coefficient C | -9.45520e-04 | |||
| Coefficient D | 1.77600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 441.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 538.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 626.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 705.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 775.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 837.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 891.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 938.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 978.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1013.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006528; 0.0000855] | Pa×s | [459.96; 705.98] |
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 | -1.31683e+01 | |||
| Coefficient B | 2.68343e+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. | 459.96 | |||
| Temperature range, max. | 705.98 | |||
| η | 0.0006528 | Pa×s | 459.96 | Calculated Property |
| η | 0.0004706 | Pa×s | 487.30 | Calculated Property |
| η | 0.0003512 | Pa×s | 514.63 | Calculated Property |
| η | 0.0002700 | Pa×s | 541.97 | Calculated Property |
| η | 0.0002129 | Pa×s | 569.30 | Calculated Property |
| η | 0.0001715 | Pa×s | 596.64 | Calculated Property |
| η | 0.0001409 | Pa×s | 623.97 | Calculated Property |
| η | 0.0001176 | Pa×s | 651.31 | Calculated Property |
| η | 0.0000996 | Pa×s | 678.65 | Calculated Property |
| η | 0.0000855 | Pa×s | 705.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dichlorobenzyl tetradecyl ether.
Sources
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