- InChI
- InChI=1S/C22H36Cl2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-19-20-15-16-21(23)18-22(20)24/h15-16,18H,2-14,17,19H2,1H3
- InChI Key
- DQOSXTYICPYLDO-UHFFFAOYSA-N
- Formula
- C22H36Cl2O
- SMILES
-
CCCCCCCCCCCCCCCOCc1ccc(Cl)cc1C
l - Molecular Weight1
- 387.43
- 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 | 0.9831 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.601 | Crippen Calculated Property | |
| McVol | 327.430 | ml/mol | McGowan Calculated Property |
| Pc | 1027.28 | kPa | Joback Calculated Property |
| Inp | [2693.00; 2706.00] |
|
|
| Inp | 2693.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Inp | 2702.00 | NIST | |
| Inp | 2693.00 | NIST | |
| Inp | 2696.00 | NIST | |
| Inp | 2704.00 | NIST | |
| Inp | 2705.00 | NIST | |
| Inp | 2693.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Inp | 2705.00 | NIST | |
| Inp | 2706.00 | NIST | |
| Inp | 2695.00 | NIST | |
| Inp | 2698.00 | NIST | |
| Inp | 2702.00 | NIST | |
| Inp | 2705.00 | NIST | |
| Tboil | 646.06 | K | Relay (1.0) Calculated Property |
| Tc | 860.62 | K | Relay (1.0) Calculated Property |
| Tfus | 299.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.234 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [984.66; 1077.74] | J/mol×K | [836.68; 1032.34] |
|
| Cp,gas | 984.66 | J/mol×K | 836.68 | Joback Calculated Property |
| Cp,gas | 1002.73 | J/mol×K | 869.29 | Joback Calculated Property |
| Cp,gas | 1019.72 | J/mol×K | 901.90 | Joback Calculated Property |
| Cp,gas | 1035.68 | J/mol×K | 934.51 | Joback Calculated Property |
| Cp,gas | 1050.65 | J/mol×K | 967.12 | Joback Calculated Property |
| Cp,gas | 1064.65 | J/mol×K | 999.73 | Joback Calculated Property |
| Cp,gas | 1077.74 | J/mol×K | 1032.34 | Joback Calculated Property |
| η | [0.0000449; 0.0005896] | Pa×s | [471.23; 836.68] |
|
| η | 0.0005896 | Pa×s | 471.23 | Joback Calculated Property |
| η | 0.0003003 | Pa×s | 532.14 | Joback Calculated Property |
| η | 0.0001757 | Pa×s | 593.05 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 653.95 | Joback Calculated Property |
| η | 0.0000791 | Pa×s | 714.86 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 775.77 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 836.68 | Joback Calculated Property |
Similar Compounds
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Sources
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