- InChI
- InChI=1S/C20H32Cl2O/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-17-18-13-14-19(21)16-20(18)22/h13-14,16H,2-12,15,17H2,1H3
- InChI Key
- OTSXSHIAJZTAFV-UHFFFAOYSA-N
- Formula
- C20H32Cl2O
- SMILES
- CCCCCCCCCCCCCOCc1ccc(Cl)cc1Cl
- Molecular Weight1
- 359.38
- 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 | 0.9119 | Relay (1.0) Calculated Property | |
| ΔfusH° | 50.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.19 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 7.821 | Crippen Calculated Property | |
| McVol | 299.250 | ml/mol | McGowan Calculated Property |
| Pc | 1166.43 | kPa | Joback Calculated Property |
| Inp | [2483.00; 2496.00] |
|
|
| Inp | 2483.00 | NIST | |
| Inp | 2490.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Inp | 2483.00 | NIST | |
| Inp | 2490.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Inp | 2496.00 | NIST | |
| Inp | 2483.00 | NIST | |
| Inp | 2491.00 | NIST | |
| Inp | 2494.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Tboil | 632.97 | K | Relay (1.0) Calculated Property |
| Tc | 848.61 | K | Relay (1.0) Calculated Property |
| Tfus | 287.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.126 | 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 | [419.82; 961.58] | 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 | 3.06830e+01 | |||
| Coefficient B | 1.65632e+00 | |||
| Coefficient C | -8.91120e-04 | |||
| Coefficient D | 1.65700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 419.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 595.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 670.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 736.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 794.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 846.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 890.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 928.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 961.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007196; 0.0000958] | Pa×s | [448.69; 689.62] |
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 | -1.30076e+01 | |||
| Coefficient B | 2.58927e+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. | 448.69 | |||
| Temperature range, max. | 689.62 | |||
| η | 0.0007196 | Pa×s | 448.69 | Calculated Property |
| η | 0.0005199 | Pa×s | 475.46 | Calculated Property |
| η | 0.0003889 | Pa×s | 502.23 | Calculated Property |
| η | 0.0002996 | Pa×s | 529.00 | Calculated Property |
| η | 0.0002367 | Pa×s | 555.77 | Calculated Property |
| η | 0.0001911 | Pa×s | 582.54 | Calculated Property |
| η | 0.0001572 | Pa×s | 609.31 | Calculated Property |
| η | 0.0001314 | Pa×s | 636.08 | Calculated Property |
| η | 0.0001115 | Pa×s | 662.85 | Calculated Property |
| η | 0.0000958 | Pa×s | 689.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-dichlorobenzyl tridecyl ether.
Sources
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