- InChI
- InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
- InChI Key
- SPURMHFLEKVAAS-UHFFFAOYSA-N
- Formula
- C22H44
- SMILES
- C=CCCCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 308.58
- CAS
- 1599-67-3
- Other Names
-
- Docos-1-ene
- 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).
- Pvap : Vapor 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 | 0.8953 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -388.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.604 | Crippen Calculated Property | |
| McVol | 316.540 | ml/mol | McGowan Calculated Property |
| Pc | 924.99 | kPa | Joback Calculated Property |
| Inp | [2188.00; 2200.00] |
|
|
| Inp | 2190.00 | NIST | |
| Inp | 2194.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Inp | 2196.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Inp | 2194.00 | NIST | |
| Inp | 2194.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Inp | 2192.00 | NIST | |
| Inp | 2192.00 | NIST | |
| Inp | 2192.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Inp | 2191.00 | NIST | |
| Inp | 2194.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Inp | 2191.00 | NIST | |
| Inp | Outlier 2200.00 | NIST | |
| Inp | 2189.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Inp | 2192.00 | NIST | |
| Inp | 2195.00 | NIST | |
| Inp | 2196.00 | NIST | |
| Tboil | 614.48 | K | Relay (1.0) Calculated Property |
| Tc | 769.72 | K | Relay (1.0) Calculated Property |
| Tfus | 311.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.257 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 95.60 | kJ/mol | 520.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.38; 1125.82] | 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 | -2.01010e+01 | |||
| Coefficient B | 2.07382e+00 | |||
| Coefficient C | -1.19590e-03 | |||
| Coefficient D | 2.68000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 462.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 575.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 677.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 767.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 847.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 918.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 981.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1035.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1083.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1125.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049665; 0.0001335] | Pa×s | [311.15; 604.95] |
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 | -1.27510e+01 | |||
| Coefficient B | 2.31680e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 311.15 | |||
| Temperature range, max. | 604.95 | |||
| η | 0.0049665 | Pa×s | 311.15 | Calculated Property |
| η | 0.0024490 | Pa×s | 343.79 | Calculated Property |
| η | 0.0013652 | Pa×s | 376.44 | Calculated Property |
| η | 0.0008354 | Pa×s | 409.08 | Calculated Property |
| η | 0.0005497 | Pa×s | 441.73 | Calculated Property |
| η | 0.0003832 | Pa×s | 474.37 | Calculated Property |
| η | 0.0002798 | Pa×s | 507.02 | Calculated Property |
| η | 0.0002122 | Pa×s | 539.66 | Calculated Property |
| η | 0.0001661 | Pa×s | 572.31 | Calculated Property |
| η | 0.0001335 | Pa×s | 604.95 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [487.42; 668.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43726e+01 | |||
| Coefficient B | -4.59006e+03 | |||
| Coefficient C | -1.61534e+02 | |||
| Temperature range, min. | 487.42 | |||
| Temperature range, max. | 668.10 | |||
| Pvap | 1.33 | kPa | 487.42 | Calculated Property |
| Pvap | 3.02 | kPa | 507.50 | Calculated Property |
| Pvap | 6.25 | kPa | 527.57 | Calculated Property |
| Pvap | 12.00 | kPa | 547.65 | Calculated Property |
| Pvap | 21.59 | kPa | 567.72 | Calculated Property |
| Pvap | 36.76 | kPa | 587.80 | Calculated Property |
| Pvap | 59.67 | kPa | 607.87 | Calculated Property |
| Pvap | 92.90 | kPa | 627.95 | Calculated Property |
| Pvap | 139.43 | kPa | 648.02 | Calculated Property |
| Pvap | 202.65 | kPa | 668.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Docosene.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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