- InChI
- InChI=1S/C30H60O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-4-2/h3-29H2,1-2H3
- InChI Key
- BAIGIFRMHRSNIM-UHFFFAOYSA-N
- Formula
- C30H60O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=
O)OCC - Molecular Weight1
- 452.80
- 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.
- 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 | 1.3126 | Relay (1.0) Calculated Property | |
| ΔfG° | -108.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -987.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 149.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.712 | Crippen Calculated Property | |
| McVol | 441.000 | ml/mol | McGowan Calculated Property |
| Pc | 596.92 | kPa | Joback Calculated Property |
| Inp | [3180.91; 3180.91] |
|
|
| Inp | 3180.91 | NIST | |
| Inp | 3180.91 | NIST | |
| Tboil | 655.35 | K | Relay (1.0) Calculated Property |
| Tc | 843.15 | K | Relay (1.0) Calculated Property |
| Tfus | 330.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.742 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.23; 1575.17] | 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 | 1.02700e+00 | |||
| Coefficient B | 2.79904e+00 | |||
| Coefficient C | -1.51360e-03 | |||
| Coefficient D | 2.88700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 658.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 814.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 955.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1081.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1192.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1291.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1378.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1453.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1519.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1575.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006320; 0.0000258] | Pa×s | [470.19; 820.07] |
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 | -1.48635e+01 | |||
| Coefficient B | 3.52496e+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. | 470.19 | |||
| Temperature range, max. | 820.07 | |||
| η | 0.0006320 | Pa×s | 470.19 | Calculated Property |
| η | 0.0003565 | Pa×s | 509.07 | Calculated Property |
| η | 0.0002181 | Pa×s | 547.94 | Calculated Property |
| η | 0.0001424 | Pa×s | 586.82 | Calculated Property |
| η | 0.0000981 | Pa×s | 625.69 | Calculated Property |
| η | 0.0000705 | Pa×s | 664.57 | Calculated Property |
| η | 0.0000526 | Pa×s | 703.45 | Calculated Property |
| η | 0.0000405 | Pa×s | 742.32 | Calculated Property |
| η | 0.0000320 | Pa×s | 781.20 | Calculated Property |
| η | 0.0000258 | Pa×s | 820.07 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl octacosanoate.
Sources
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