- 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
- 296.54
- CAS
- 2955-56-8
- 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).
- 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 | 0.9074 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.31 | Relay (1.0) 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 | 589.77 | K | Relay (1.0) Calculated Property |
| Tc | 783.91 | K | Relay (1.0) Calculated Property |
| Tfus | 334.15 ± 1.50 | K | NIST |
| Vc | 1.157 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.68; 1040.17] | 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 | -7.93300e+00 | |||
| Coefficient B | 1.87584e+00 | |||
| Coefficient C | -1.04550e-03 | |||
| Coefficient D | 2.17760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 430.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 534.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 627.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 710.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 784.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 850.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 907.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 958.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1002.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1040.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046114; 0.0001631] | Pa×s | [334.15; 616.19] |
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 | -1.26808e+01 | |||
| Coefficient B | 2.43983e+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. | 334.15 | |||
| Temperature range, max. | 616.19 | |||
| η | 0.0046114 | Pa×s | 334.15 | Calculated Property |
| η | 0.0024657 | Pa×s | 365.49 | Calculated Property |
| η | 0.0014554 | Pa×s | 396.83 | Calculated Property |
| η | 0.0009280 | Pa×s | 428.16 | Calculated Property |
| η | 0.0006292 | Pa×s | 459.50 | Calculated Property |
| η | 0.0004483 | Pa×s | 490.84 | Calculated Property |
| η | 0.0003327 | Pa×s | 522.18 | Calculated Property |
| η | 0.0002553 | Pa×s | 553.52 | Calculated Property |
| η | 0.0002016 | Pa×s | 584.85 | Calculated Property |
| η | 0.0001631 | Pa×s | 616.19 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [477.24; 675.64] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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