- InChI
- InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h10-11H,3-9,12-17H2,1-2H3/b11-10-
- InChI Key
- QVXFGVVYTKZLJN-KHPPLWFESA-N
- Formula
- C18H34O2
- SMILES
- CCCCCCCCC=CCCCCCCOC(C)=O
- Molecular Weight1
- 282.46
- CAS
- 23192-42-9
- Other Names
-
- Z-7-Hexadecen-1-ol acetate
- (7Z)-7-Hexadecenyl acetate
- (Z)-7-Hexadecenyl acetate
- cis-7-Hexadecenyl acetate
- Hexalure
- Hexalene
- 7-Hexadecen-1-ol, acetate, (7Z)-
- (Z)-hexadec-7-enyl 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.
- 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 | 0.8154 | Relay (1.0) Calculated Property | |
| ΔfG° | -129.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.80 | kJ/mol | NIST |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.807 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1198.13 | kPa | Joback Calculated Property |
| Inp | [1988.00; 1988.00] |
|
|
| Inp | 1988.00 | NIST | |
| Inp | 1988.00 | NIST | |
| I | [2308.00; 2308.00] |
|
|
| I | 2308.00 | NIST | |
| I | 2308.00 | NIST | |
| Tboil | 583.26 | K | Relay (1.0) Calculated Property |
| Tc | 758.42 | K | Relay (1.0) Calculated Property |
| Tfus | 269.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.017 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.66; 925.49] | 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 | -2.24700e+00 | |||
| Coefficient B | 1.67904e+00 | |||
| Coefficient C | -9.44600e-04 | |||
| Coefficient D | 1.93300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 389.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 482.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 564.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 638.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 703.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 761.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 811.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 855.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 893.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 925.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028946; 0.0001212] | Pa×s | [329.87; 590.58] |
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 | -1.30334e+01 | |||
| Coefficient B | 2.37128e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 329.87 | |||
| Temperature range, max. | 590.58 | |||
| η | 0.0028946 | Pa×s | 329.87 | Calculated Property |
| η | 0.0016202 | Pa×s | 358.84 | Calculated Property |
| η | 0.0009890 | Pa×s | 387.81 | Calculated Property |
| η | 0.0006466 | Pa×s | 416.77 | Calculated Property |
| η | 0.0004467 | Pa×s | 445.74 | Calculated Property |
| η | 0.0003229 | Pa×s | 474.71 | Calculated Property |
| η | 0.0002423 | Pa×s | 503.68 | Calculated Property |
| η | 0.0001875 | Pa×s | 532.64 | Calculated Property |
| η | 0.0001491 | Pa×s | 561.61 | Calculated Property |
| η | 0.0001212 | Pa×s | 590.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Hexadecen-1-ol, acetate, (Z)-.
Sources
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