- 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).
- 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 | 0.9475 | Relay (... Calculated Property | |
| ΔfG° | 90.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.05 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 52.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.31 | kJ/mol | Relay (... Calculated Property |
| IE | 8.90 | eV | Relay (... Calculated Property |
| log10WS | -7.87 | Relay (... 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 (... Calculated Property |
| Tc | 853.69 | K | Relay (... Calculated Property |
| Tfus | 296.26 | K | Relay (... Calculated Property |
| Vc | 1.179 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [924.53; 1016.41] | J/mol×K | [813.80; 1008.30] |
|
| Cp,gas | 924.53 | J/mol×K | 813.80 | Joback Calculated Property |
| Cp,gas | 942.32 | J/mol×K | 846.22 | Joback Calculated Property |
| Cp,gas | 959.07 | J/mol×K | 878.63 | Joback Calculated Property |
| Cp,gas | 974.82 | J/mol×K | 911.05 | Joback Calculated Property |
| Cp,gas | 989.60 | J/mol×K | 943.46 | Joback Calculated Property |
| Cp,gas | 1003.45 | J/mol×K | 975.88 | Joback Calculated Property |
| Cp,gas | 1016.41 | J/mol×K | 1008.30 | Joback Calculated Property |
| η | [0.0000517; 0.0006528] | Pa×s | [459.96; 813.80] |
|
| η | 0.0006528 | Pa×s | 459.96 | Joback Calculated Property |
| η | 0.0003364 | Pa×s | 518.93 | Joback Calculated Property |
| η | 0.0001985 | Pa×s | 577.91 | Joback Calculated Property |
| η | 0.0001291 | Pa×s | 636.88 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 695.85 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 754.83 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 813.80 | Joback Calculated Property |
Similar Compounds
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Sources
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