- InChI
- InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3
- InChI Key
- FWBUWJHWAKTPHI-UHFFFAOYSA-N
- Formula
- C20H40O
- SMILES
- CCCCCCCCCCCCCCCCCCCC=O
- Molecular Weight1
- 296.53
- CAS
- 2400-66-0
- Other Names
-
- 1-Eicosanal
- icosanal
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.9356 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.227 | Crippen Calculated Property | |
| McVol | 294.230 | ml/mol | McGowan Calculated Property |
| Pc | 1065.18 | kPa | Joback Calculated Property |
| Inp | [2203.00; 2229.00] |
|
|
| Inp | 2221.00 | NIST | |
| Inp | 2224.00 | NIST | |
| Inp | 2225.30 | NIST | |
| Inp | 2219.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Inp | Outlier 2203.00 | NIST | |
| Inp | 2229.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Ip | 2571.00 | NIST | |
| Tboil | 599.37 | K | Relay (1.0) Calculated Property |
| Tc | 790.54 | K | Relay (1.0) Calculated Property |
| Tfus | 327.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.168 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.67; 1041.93] | 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 | -3.89200e+00 | |||
| Coefficient B | 1.87832e+00 | |||
| Coefficient C | -1.05720e-03 | |||
| Coefficient D | 2.24700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 434.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 538.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 631.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 714.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 787.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 852.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 910.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 960.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1003.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1041.93 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029013; 0.0001807] | Pa×s | [357.16; 611.02] |
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 | -1.25238e+01 | |||
| Coefficient B | 2.38627e+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. | 357.16 | |||
| Temperature range, max. | 611.02 | |||
| η | 0.0029013 | Pa×s | 357.16 | Calculated Property |
| η | 0.0017792 | Pa×s | 385.37 | Calculated Property |
| η | 0.0011663 | Pa×s | 413.57 | Calculated Property |
| η | 0.0008069 | Pa×s | 441.78 | Calculated Property |
| η | 0.0005835 | Pa×s | 469.99 | Calculated Property |
| η | 0.0004377 | Pa×s | 498.19 | Calculated Property |
| η | 0.0003386 | Pa×s | 526.40 | Calculated Property |
| η | 0.0002689 | Pa×s | 554.61 | Calculated Property |
| η | 0.0002183 | Pa×s | 582.81 | Calculated Property |
| η | 0.0001807 | Pa×s | 611.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosanal.
Sources
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