- InChI
- InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h8-9H,3-7,10-15H2,1-2H3
- InChI Key
- MRBKPSJRLSTYOZ-HJWRWDBZSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCC/C=C\CCCCCCC(=O)OC
- Molecular Weight1
- 254.41
- 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.
- I : 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 | 0.7418 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.027 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Pc | 1374.80 | kPa | Joback Calculated Property |
| Inp | [1888.00; 1908.00] |
|
|
| Inp | 1888.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Inp | 1888.00 | NIST | |
| Inp | 1890.00 | NIST | |
| Inp | 1890.00 | NIST | |
| Inp | 1908.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Inp | 1890.00 | NIST | |
| Inp | 1908.00 | NIST | |
| I | [2236.00; 2249.00] |
|
|
| I | 2237.00 | NIST | |
| I | Outlier 2249.00 | NIST | |
| I | 2236.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2236.00 | NIST | |
| Tboil | 551.12 | K | Relay (1.0) Calculated Property |
| Tc | 743.84 | K | Relay (1.0) Calculated Property |
| Tfus | 244.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.894 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.24; 822.31] | 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 | -4.29000e-01 | |||
| Coefficient B | 1.48904e+00 | |||
| Coefficient C | -8.35800e-04 | |||
| Coefficient D | 1.69500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 347.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 429.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 502.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 626.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 677.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 721.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 760.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 793.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 822.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035634; 0.0001460] | Pa×s | [307.33; 558.59] |
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 | -1.27400e+01 | |||
| Coefficient B | 2.18296e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 307.33 | |||
| Temperature range, max. | 558.59 | |||
| η | 0.0035634 | Pa×s | 307.33 | Calculated Property |
| η | 0.0019723 | Pa×s | 335.25 | Calculated Property |
| η | 0.0011956 | Pa×s | 363.17 | Calculated Property |
| η | 0.0007784 | Pa×s | 391.08 | Calculated Property |
| η | 0.0005367 | Pa×s | 419.00 | Calculated Property |
| η | 0.0003876 | Pa×s | 446.92 | Calculated Property |
| η | 0.0002908 | Pa×s | 474.84 | Calculated Property |
| η | 0.0002253 | Pa×s | 502.76 | Calculated Property |
| η | 0.0001793 | Pa×s | 530.68 | Calculated Property |
| η | 0.0001460 | Pa×s | 558.59 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-9-Hexadecenoic acid methyl ester.
Sources
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