- InChI
- InChI=1S/C18H28Cl2O/c1-2-3-4-5-6-7-8-9-10-13-21-15-16-11-12-17(19)14-18(16)20/h11-12,14H,2-10,13,15H2,1H3
- InChI Key
- OSOLFCOGEAVEPG-UHFFFAOYSA-N
- Formula
- C18H28Cl2O
- SMILES
- CCCCCCCCCCCOCc1ccc(Cl)cc1Cl
- Molecular Weight1
- 331.32
- 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 | 0.8402 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.041 | Crippen Calculated Property | |
| McVol | 271.070 | ml/mol | McGowan Calculated Property |
| Pc | 1335.88 | kPa | Joback Calculated Property |
| Inp | [2274.00; 2287.00] |
|
|
| Inp | 2275.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2274.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Inp | 2281.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Tboil | 618.90 | K | Relay (1.0) Calculated Property |
| Tc | 831.30 | K | Relay (1.0) Calculated Property |
| Tfus | 285.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.46; 837.45] | J/mol×K | [745.16; 940.00] |
|
| Cp,gas | 749.46 | J/mol×K | 745.16 | Joback Calculated Property |
| Cp,gas | 766.41 | J/mol×K | 777.63 | Joback Calculated Property |
| Cp,gas | 782.40 | J/mol×K | 810.11 | Joback Calculated Property |
| Cp,gas | 797.47 | J/mol×K | 842.58 | Joback Calculated Property |
| Cp,gas | 811.65 | J/mol×K | 875.06 | Joback Calculated Property |
| Cp,gas | 824.97 | J/mol×K | 907.53 | Joback Calculated Property |
| Cp,gas | 837.45 | J/mol×K | 940.00 | Joback Calculated Property |
| η | [0.0000772; 0.0008615] | Pa×s | [426.15; 745.16] |
|
| η | 0.0008615 | Pa×s | 426.15 | Joback Calculated Property |
| η | 0.0004611 | Pa×s | 479.32 | Joback Calculated Property |
| η | 0.0002797 | Pa×s | 532.49 | Joback Calculated Property |
| η | 0.0001857 | Pa×s | 585.65 | Joback Calculated Property |
| η | 0.0001320 | Pa×s | 638.82 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 691.99 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 745.16 | Joback Calculated Property |
Similar Compounds
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Sources
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