- InChI
- InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-3,17H,4-16H2,1H3/b3-2+
- InChI Key
- TWWSXAKLFHYWQT-NSCUHMNNSA-N
- Formula
- C17H32O
- SMILES
- CC=CCCCCCCCCCCCCCC=O
- Molecular Weight1
- 252.44
- 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 | 0.7764 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.833 | Crippen Calculated Property | |
| McVol | 247.660 | ml/mol | McGowan Calculated Property |
| Pc | 1347.68 | kPa | Joback Calculated Property |
| Inp | [2083.20; 2104.00] |
|
|
| Inp | 2083.20 | NIST | |
| Inp | 2083.20 | NIST | |
| Inp | 2084.50 | NIST | |
| Inp | 2085.50 | NIST | |
| Inp | 2104.00 | NIST | |
| Inp | 2104.00 | NIST | |
| Tboil | 582.90 | K | Relay (1.0) Calculated Property |
| Tc | 774.64 | K | Relay (1.0) Calculated Property |
| Tfus | 309.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.939 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.02; 856.57] | 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 | -1.53470e+01 | |||
| Coefficient B | 1.61332e+00 | |||
| Coefficient C | -9.77800e-04 | |||
| Coefficient D | 2.36400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 357.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 443.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 588.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 648.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 702.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 748.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 789.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 825.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 856.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035586; 0.0002021] | Pa×s | [318.27; 567.22] |
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 | -1.21738e+01 | |||
| Coefficient B | 2.08003e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 318.27 | |||
| Temperature range, max. | 567.22 | |||
| η | 0.0035586 | Pa×s | 318.27 | Calculated Property |
| η | 0.0021102 | Pa×s | 345.93 | Calculated Property |
| η | 0.0013520 | Pa×s | 373.59 | Calculated Property |
| η | 0.0009211 | Pa×s | 401.25 | Calculated Property |
| η | 0.0006593 | Pa×s | 428.91 | Calculated Property |
| η | 0.0004915 | Pa×s | 456.57 | Calculated Property |
| η | 0.0003789 | Pa×s | 484.23 | Calculated Property |
| η | 0.0003004 | Pa×s | 511.89 | Calculated Property |
| η | 0.0002439 | Pa×s | 539.56 | Calculated Property |
| η | 0.0002021 | Pa×s | 567.22 | Calculated Property |
Similar Compounds
Find more compounds similar to E-15-Heptadecenal.
Sources
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