- InChI
- InChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h3-20H2,1-2H3
- InChI Key
- VUVUIDMZOWHIIJ-UHFFFAOYSA-N
- Formula
- C21H42O
- SMILES
- CCCCCCCCCCCCCCCCCCCC(C)=O
- Molecular Weight1
- 310.56
- CAS
- 22589-04-4
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.9614 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.617 | Crippen Calculated Property | |
| McVol | 308.320 | ml/mol | McGowan Calculated Property |
| Pc | 994.51 | kPa | Joback Calculated Property |
| Tboil | 601.68 | K | Relay (1.0) Calculated Property |
| Tc | 790.47 | K | Relay (1.0) Calculated Property |
| Tfus | 334.00 ± 0.10 | K | NIST |
| Vc | 1.215 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [935.81; 1044.00] | J/mol×K | [733.75; 904.73] | 
|
| Cp,gas | 935.81 | J/mol×K | 733.75 | Joback Calculated Property |
| Cp,gas | 956.07 | J/mol×K | 762.25 | Joback Calculated Property |
| Cp,gas | 975.40 | J/mol×K | 790.74 | Joback Calculated Property |
| Cp,gas | 993.82 | J/mol×K | 819.24 | Joback Calculated Property |
| Cp,gas | 1011.38 | J/mol×K | 847.74 | Joback Calculated Property |
| Cp,gas | 1028.09 | J/mol×K | 876.23 | Joback Calculated Property |
| Cp,gas | 1044.00 | J/mol×K | 904.73 | Joback Calculated Property |
| η | [0.0000844; 0.0022413] | Pa×s | [376.36; 733.75] |
|
| η | 0.0022413 | Pa×s | 376.36 | Joback Calculated Property |
| η | 0.0008932 | Pa×s | 435.93 | Joback Calculated Property |
| η | 0.0004441 | Pa×s | 495.49 | Joback Calculated Property |
| η | 0.0002565 | Pa×s | 555.06 | Joback Calculated Property |
| η | 0.0001648 | Pa×s | 614.62 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 674.18 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 733.75 | Joback Calculated Property |
| ΔfusH | 77.65 | kJ/mol | 333.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [488.92; 688.22] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46438e+01 | |||
| Coefficient B | -5.31504e+03 | |||
| Coefficient C | -1.18695e+02 | |||
| Temperature range, min. | 488.92 | |||
| Temperature range, max. | 688.22 | |||
| Pvap | 1.33 | kPa | 488.92 | Calculated Property |
| Pvap | 3.00 | kPa | 511.06 | Calculated Property |
| Pvap | 6.18 | kPa | 533.21 | Calculated Property |
| Pvap | 11.84 | kPa | 555.35 | Calculated Property |
| Pvap | 21.31 | kPa | 577.50 | Calculated Property |
| Pvap | 36.33 | kPa | 599.64 | Calculated Property |
| Pvap | 59.09 | kPa | 621.79 | Calculated Property |
| Pvap | 92.25 | kPa | 643.93 | Calculated Property |
| Pvap | 138.92 | kPa | 666.08 | Calculated Property |
| Pvap | 202.64 | kPa | 688.22 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heneicosanone.
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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