- InChI
- InChI=1S/C20H25ClO2/c21-14-7-3-1-2-4-8-15-23-20(22)16-18-12-9-11-17-10-5-6-13-19(17)18/h5-6,9-13H,1-4,7-8,14-16H2
- InChI Key
- IIAVWHJSSYHUCD-UHFFFAOYSA-N
- Formula
- C20H25ClO2
- SMILES
-
O=C(Cc1cccc2ccccc12)OCCCCCCCCC
l - Molecular Weight1
- 332.86
- 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 | 0.8844 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.505 | Crippen Calculated Property | |
| McVol | 269.120 | ml/mol | McGowan Calculated Property |
| Pc | 1516.39 | kPa | Joback Calculated Property |
| Inp | [1469.00; 1469.00] |
|
|
| Inp | 1469.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Tboil | 676.27 | K | Relay (1.0) Calculated Property |
| Tc | 924.52 | K | Relay (1.0) Calculated Property |
| Tfus | 320.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.981 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [785.37; 865.00] | J/mol×K | [821.36; 1032.82] |
|
| Cp,gas | 785.37 | J/mol×K | 821.36 | Joback Calculated Property |
| Cp,gas | 800.93 | J/mol×K | 856.60 | Joback Calculated Property |
| Cp,gas | 815.48 | J/mol×K | 891.85 | Joback Calculated Property |
| Cp,gas | 829.10 | J/mol×K | 927.09 | Joback Calculated Property |
| Cp,gas | 841.85 | J/mol×K | 962.34 | Joback Calculated Property |
| Cp,gas | 853.80 | J/mol×K | 997.58 | Joback Calculated Property |
| Cp,gas | 865.00 | J/mol×K | 1032.82 | Joback Calculated Property |
| η | [0.0001272; 0.0009419] | Pa×s | [488.88; 821.36] |
|
| η | 0.0009419 | Pa×s | 488.88 | Joback Calculated Property |
| η | 0.0005693 | Pa×s | 544.29 | Joback Calculated Property |
| η | 0.0003777 | Pa×s | 599.71 | Joback Calculated Property |
| η | 0.0002685 | Pa×s | 655.12 | Joback Calculated Property |
| η | 0.0002014 | Pa×s | 710.53 | Joback Calculated Property |
| η | 0.0001574 | Pa×s | 765.95 | Joback Calculated Property |
| η | 0.0001272 | Pa×s | 821.36 | Joback Calculated Property |
Similar Compounds
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Sources
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