- InChI
- InChI=1S/C20H41Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3
- InChI Key
- AFGNVSCTEXUEJE-UHFFFAOYSA-N
- Formula
- C20H41Cl
- SMILES
- CCCCCCCCCCCCCCCCCCCCCl
- Molecular Weight1
- 316.99
- CAS
- 42217-02-7
- Other Names
-
- Eicosane, 1-chloro-
- chloroicosane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 | 0.9095 | Relay (1.0) Calculated Property | |
| ΔfG° | 105.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.20 | kJ/mol | NIST |
| IE | 10.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.267 | Crippen Calculated Property | |
| McVol | 304.900 | ml/mol | McGowan Calculated Property |
| Pc | 992.00 | kPa | Joback Calculated Property |
| Inp | [2264.00; 2292.00] |
|
|
| Inp | 2264.00 | NIST | |
| Inp | 2292.00 | NIST | |
| I | [2480.00; 2480.00] |
|
|
| I | 2480.00 | NIST | |
| I | 2480.00 | NIST | |
| Tboil | 587.03 | K | Relay (1.0) Calculated Property |
| Tc | 781.04 | K | Relay (1.0) Calculated Property |
| Tfus | 313.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.224 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 78.30 | kJ/mol | 582.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.16; 1059.42] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.40100e+00 | |||
| Coefficient B | 1.91062e+00 | |||
| Coefficient C | -1.08460e-03 | |||
| Coefficient D | 2.35800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 443.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 548.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 726.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 801.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 867.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 925.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 976.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1020.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1059.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027293; 0.0001460] | Pa×s | [345.08; 602.50] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.27571e+01 | |||
| Coefficient B | 2.36496e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 345.08 | |||
| Temperature range, max. | 602.50 | |||
| η | 0.0027293 | Pa×s | 345.08 | Calculated Property |
| η | 0.0016152 | Pa×s | 373.68 | Calculated Property |
| η | 0.0010299 | Pa×s | 402.28 | Calculated Property |
| η | 0.0006972 | Pa×s | 430.89 | Calculated Property |
| η | 0.0004954 | Pa×s | 459.49 | Calculated Property |
| η | 0.0003664 | Pa×s | 488.09 | Calculated Property |
| η | 0.0002802 | Pa×s | 516.69 | Calculated Property |
| η | 0.0002204 | Pa×s | 545.29 | Calculated Property |
| η | 0.0001776 | Pa×s | 573.89 | Calculated Property |
| η | 0.0001460 | Pa×s | 602.50 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloroeicosane.
Sources
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