- InChI
- InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h13-14,17H,2-12,15-16H2,1H3/b14-13+
- InChI Key
- OKOGACXRQKCGEH-BUHFOSPRSA-N
- Formula
- C16H32O
- SMILES
- CCCCCCCCCCCCC=CCCO
- Molecular Weight1
- 240.42
- Other Names
-
- (E)3-Hexadecen-1-ol
- 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 | 0.9054 | Relay (1.0) Calculated Property | |
| ΔfG° | 27.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 237.870 | ml/mol | McGowan Calculated Property |
| Pc | 1467.98 | kPa | Joback Calculated Property |
| Inp | [1865.00; 1865.00] |
|
|
| Inp | 1865.00 | NIST | |
| Inp | 1865.00 | NIST | |
| I | [2384.00; 2384.00] |
|
|
| I | 2384.00 | NIST | |
| I | 2384.00 | NIST | |
| Tboil | 588.97 | K | Relay (1.0) Calculated Property |
| Tc | 767.24 | K | Relay (1.0) Calculated Property |
| Tfus | 287.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.900 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.40; 832.87] | 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 | -2.05470e+01 | |||
| Coefficient B | 1.57782e+00 | |||
| Coefficient C | -9.60800e-04 | |||
| Coefficient D | 2.36400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 343.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 427.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 503.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 569.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 628.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 680.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 726.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 766.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 801.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 832.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0083536; 0.0000757] | Pa×s | [325.82; 578.02] |
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 | -1.55666e+01 | |||
| Coefficient B | 3.51283e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 325.82 | |||
| Temperature range, max. | 578.02 | |||
| η | 0.0083536 | Pa×s | 325.82 | Calculated Property |
| η | 0.0035568 | Pa×s | 353.84 | Calculated Property |
| η | 0.0017166 | Pa×s | 381.86 | Calculated Property |
| η | 0.0009152 | Pa×s | 409.89 | Calculated Property |
| η | 0.0005289 | Pa×s | 437.91 | Calculated Property |
| η | 0.0003265 | Pa×s | 465.93 | Calculated Property |
| η | 0.0002129 | Pa×s | 493.95 | Calculated Property |
| η | 0.0001453 | Pa×s | 521.98 | Calculated Property |
| η | 0.0001031 | Pa×s | 550.00 | Calculated Property |
| η | 0.0000757 | Pa×s | 578.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-hexadecenol, E.
Sources
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