- InChI
- InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h3-19H2,1-2H3
- InChI Key
- BWVLRRQCABCGBO-UHFFFAOYSA-N
- Formula
- C20H40O
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)CC
- Molecular Weight1
- 296.53
- CAS
- 2955-56-8
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -11.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.86 | kJ/mol | Joback Calculated Property |
| log10WS | -7.47 | Crippen Calculated Property | |
| logPoct/wat | 7.227 | Crippen Calculated Property | |
| McVol | 294.230 | ml/mol | McGowan Calculated Property |
| Pc | 1057.57 | kPa | Joback Calculated Property |
| Tboil | 710.87 | K | Joback Calculated Property |
| Tc | 880.03 | K | Joback Calculated Property |
| Tfus | 334.15 ± 1.50 | K | NIST |
| Vc | 1.161 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [875.44; 981.58] | J/mol×K | [710.87; 880.03] | 
|
| Cp,gas | 875.44 | J/mol×K | 710.87 | Joback Calculated Property |
| Cp,gas | 895.27 | J/mol×K | 739.06 | Joback Calculated Property |
| Cp,gas | 914.21 | J/mol×K | 767.26 | Joback Calculated Property |
| Cp,gas | 932.27 | J/mol×K | 795.45 | Joback Calculated Property |
| Cp,gas | 949.51 | J/mol×K | 823.64 | Joback Calculated Property |
| Cp,gas | 965.93 | J/mol×K | 851.83 | Joback Calculated Property |
| Cp,gas | 981.58 | J/mol×K | 880.03 | Joback Calculated Property |
| η | [0.0000962; 0.0024837] | Pa×s | [365.09; 710.87] |
|
| η | 0.0024837 | Pa×s | 365.09 | Joback Calculated Property |
| η | 0.0009987 | Pa×s | 422.72 | Joback Calculated Property |
| η | 0.0004997 | Pa×s | 480.35 | Joback Calculated Property |
| η | 0.0002900 | Pa×s | 537.98 | Joback Calculated Property |
| η | 0.0001870 | Pa×s | 595.61 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 653.24 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 710.87 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [477.24; 675.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44932e+01 | |||
| Coefficient B | -5.15102e+03 | |||
| Coefficient C | -1.14636e+02 | |||
| Temperature range, min. | 477.24 | |||
| Temperature range, max. | 675.64 | |||
| Pvap | 1.33 | kPa | 477.24 | Calculated Property |
| Pvap | 3.01 | kPa | 499.28 | Calculated Property |
| Pvap | 6.22 | kPa | 521.33 | Calculated Property |
| Pvap | 11.93 | kPa | 543.37 | Calculated Property |
| Pvap | 21.46 | kPa | 565.42 | Calculated Property |
| Pvap | 36.57 | kPa | 587.46 | Calculated Property |
| Pvap | 59.41 | kPa | 609.51 | Calculated Property |
| Pvap | 92.60 | kPa | 631.55 | Calculated Property |
| Pvap | 139.20 | kPa | 653.60 | Calculated Property |
| Pvap | 202.64 | kPa | 675.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Eicosanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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