- InChI
- InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(2)24/h3-22H2,1-2H3
- InChI Key
- HHIFOCFPEAIUAV-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
- CCCCCCCCCCCCCCCCCCCCCOC(C)=O
- Molecular Weight1
- 354.62
- Other Names
-
- n-Heneicosyl acetate
- 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 | 1.0708 | Relay (1.0) Calculated Property | |
| ΔfG° | -167.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.981 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 854.46 | kPa | Joback Calculated Property |
| Inp | 2509.20 | NIST | |
| Tboil | 614.00 | K | Relay (1.0) Calculated Property |
| Tc | 797.20 | K | Relay (1.0) Calculated Property |
| Tfus | 316.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.357 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.74; 1214.03] | 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 | 7.39000e+00 | |||
| Coefficient B | 2.13404e+00 | |||
| Coefficient C | -1.13280e-03 | |||
| Coefficient D | 2.05400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 509.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 629.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 737.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 834.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 920.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 996.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1063.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1121.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1171.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1214.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016765; 0.0000784] | Pa×s | [391.30; 672.59] |
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 | -1.37150e+01 | |||
| Coefficient B | 2.86584e+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. | 391.30 | |||
| Temperature range, max. | 672.59 | |||
| η | 0.0016765 | Pa×s | 391.30 | Calculated Property |
| η | 0.0009753 | Pa×s | 422.55 | Calculated Property |
| η | 0.0006113 | Pa×s | 453.81 | Calculated Property |
| η | 0.0004070 | Pa×s | 485.06 | Calculated Property |
| η | 0.0002846 | Pa×s | 516.32 | Calculated Property |
| η | 0.0002073 | Pa×s | 547.57 | Calculated Property |
| η | 0.0001563 | Pa×s | 578.83 | Calculated Property |
| η | 0.0001213 | Pa×s | 610.08 | Calculated Property |
| η | 0.0000965 | Pa×s | 641.34 | Calculated Property |
| η | 0.0000784 | Pa×s | 672.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosyl acetate.
Sources
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