- InChI
- InChI=1S/C23H46O2/c1-4-19-22(2)20-17-15-13-11-9-7-5-6-8-10-12-14-16-18-21-23(24)25-3/h22H,4-21H2,1-3H3
- InChI Key
- MZZKHEPMQONWKQ-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
- CCCC(C)CCCCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 354.62
- 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 | 1.0200 | Relay (1.0) Calculated Property | |
| ΔfG° | -170.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.837 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 858.47 | kPa | Joback Calculated Property |
| Inp | [2385.00; 2385.00] |
|
|
| Inp | 2385.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Tboil | 608.99 | K | Relay (1.0) Calculated Property |
| Tc | 800.60 | K | Relay (1.0) Calculated Property |
| Tfus | 294.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.312 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.42; 1214.57] | 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 | 5.70800e+00 | |||
| Coefficient B | 2.13996e+00 | |||
| Coefficient C | -1.13600e-03 | |||
| Coefficient D | 2.04900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 509.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 629.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 737.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 834.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 921.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 997.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1064.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1122.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1172.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1214.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021709; 0.0000725] | Pa×s | [376.30; 672.60] |
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 | -1.38490e+01 | |||
| Coefficient B | 2.90366e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 376.30 | |||
| Temperature range, max. | 672.60 | |||
| η | 0.0021709 | Pa×s | 376.30 | Calculated Property |
| η | 0.0011669 | Pa×s | 409.22 | Calculated Property |
| η | 0.0006880 | Pa×s | 442.14 | Calculated Property |
| η | 0.0004365 | Pa×s | 475.07 | Calculated Property |
| η | 0.0002937 | Pa×s | 507.99 | Calculated Property |
| η | 0.0002074 | Pa×s | 540.91 | Calculated Property |
| η | 0.0001524 | Pa×s | 573.83 | Calculated Property |
| η | 0.0001158 | Pa×s | 606.75 | Calculated Property |
| η | 0.0000905 | Pa×s | 639.68 | Calculated Property |
| η | 0.0000725 | Pa×s | 672.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosanoic acid, 18-methyl, methyl ester.
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