- 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
- 359.37
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | |
| ΔfG° | 81.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.59 | 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 | 846.45 | K | Relay (1.0) Calculated Property |
| Tfus | 292.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [865.24; 955.90] | J/mol×K | [790.92; 984.93] |
|
| Cp,gas | 865.24 | J/mol×K | 790.92 | Joback Calculated Property |
| Cp,gas | 882.75 | J/mol×K | 823.25 | Joback Calculated Property |
| Cp,gas | 899.26 | J/mol×K | 855.59 | Joback Calculated Property |
| Cp,gas | 914.80 | J/mol×K | 887.92 | Joback Calculated Property |
| Cp,gas | 929.40 | J/mol×K | 920.26 | Joback Calculated Property |
| Cp,gas | 943.08 | J/mol×K | 952.59 | Joback Calculated Property |
| Cp,gas | 955.90 | J/mol×K | 984.93 | Joback Calculated Property |
| η | [0.0000592; 0.0007196] | Pa×s | [448.69; 790.92] |
|
| η | 0.0007196 | Pa×s | 448.69 | Joback Calculated Property |
| η | 0.0003753 | Pa×s | 505.73 | Joback Calculated Property |
| η | 0.0002234 | Pa×s | 562.77 | Joback Calculated Property |
| η | 0.0001463 | Pa×s | 619.80 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 676.84 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 733.88 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 790.92 | Joback Calculated Property |
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Sources
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