- InChI
- InChI=1S/C22H45Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3
- InChI Key
- OACXFSZVCDOBKF-UHFFFAOYSA-N
- Formula
- C22H45Cl
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCl
- Molecular Weight1
- 345.05
- CAS
- 42217-03-8
- Other Names
-
- 1-Chlorodocosane
- Docosane, 1-chloro-
- 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).
- Pvap : Vapor pressure (kPa).
- I : 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 | 0.9800 | Relay (1.0) Calculated Property | |
| ΔfG° | 122.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.047 | Crippen Calculated Property | |
| McVol | 333.080 | ml/mol | McGowan Calculated Property |
| Pc | 882.09 | kPa | Joback Calculated Property |
| I | 2692.00 | NIST | |
| Tboil | 599.57 | K | Relay (1.0) Calculated Property |
| Tc | 791.89 | K | Relay (1.0) Calculated Property |
| Tfus | 323.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1002.07; 1114.92] | J/mol×K | [740.19; 910.35] | 
|
| Cp,gas | 1002.07 | J/mol×K | 740.19 | Joback Calculated Property |
| Cp,gas | 1023.16 | J/mol×K | 768.55 | Joback Calculated Property |
| Cp,gas | 1043.28 | J/mol×K | 796.91 | Joback Calculated Property |
| Cp,gas | 1062.48 | J/mol×K | 825.27 | Joback Calculated Property |
| Cp,gas | 1080.80 | J/mol×K | 853.63 | Joback Calculated Property |
| Cp,gas | 1098.27 | J/mol×K | 881.99 | Joback Calculated Property |
| Cp,gas | 1114.92 | J/mol×K | 910.35 | Joback Calculated Property |
| η | [0.0000663; 0.0021878] | Pa×s | [367.62; 740.19] |
|
| η | 0.0021878 | Pa×s | 367.62 | Joback Calculated Property |
| η | 0.0008019 | Pa×s | 429.71 | Joback Calculated Property |
| η | 0.0003787 | Pa×s | 491.81 | Joback Calculated Property |
| η | 0.0002116 | Pa×s | 553.90 | Joback Calculated Property |
| η | 0.0001330 | Pa×s | 616.00 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 678.10 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 740.19 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [515.52; 760.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32945e+01 | |||
| Coefficient B | -5.05479e+03 | |||
| Coefficient C | -1.26896e+02 | |||
| Temperature range, min. | 515.52 | |||
| Temperature range, max. | 760.09 | |||
| Pvap | 1.33 | kPa | 515.52 | Calculated Property |
| Pvap | 3.12 | kPa | 542.69 | Calculated Property |
| Pvap | 6.58 | kPa | 569.87 | Calculated Property |
| Pvap | 12.72 | kPa | 597.04 | Calculated Property |
| Pvap | 22.88 | kPa | 624.22 | Calculated Property |
| Pvap | 38.75 | kPa | 651.39 | Calculated Property |
| Pvap | 62.29 | kPa | 678.57 | Calculated Property |
| Pvap | 95.77 | kPa | 705.74 | Calculated Property |
| Pvap | 141.67 | kPa | 732.92 | Calculated Property |
| Pvap | 202.65 | kPa | 760.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Behenyl chloride.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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