- InChI
- InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2,18H,1,3-17H2
- InChI Key
- MXCKZUNSOZSBPA-UHFFFAOYSA-N
- Formula
- C18H34O
- SMILES
- C=CCCCCCCCCCCCCCCCC=O
- Molecular Weight1
- 266.47
- 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).
- 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 | 0.8291 | Relay (1.0) Calculated Property | |
| ΔfG° | 89.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.223 | Crippen Calculated Property | |
| McVol | 261.750 | ml/mol | McGowan Calculated Property |
| Pc | 1248.61 | kPa | Joback Calculated Property |
| Tboil | 600.58 | K | Relay (1.0) Calculated Property |
| Tc | 783.25 | K | Relay (1.0) Calculated Property |
| Tfus | 315.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.002 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.43; 910.23] | 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 | -5.06500e+00 | |||
| Coefficient B | 1.66830e+00 | |||
| Coefficient C | -9.71300e-04 | |||
| Coefficient D | 2.18300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 382.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 473.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 554.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 626.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 690.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 746.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 796.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 839.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 877.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 910.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033854; 0.0002263] | Pa×s | [332.86; 576.08] |
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 | -1.20957e+01 | |||
| Coefficient B | 2.13279e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 332.86 | |||
| Temperature range, max. | 576.08 | |||
| η | 0.0033854 | Pa×s | 332.86 | Calculated Property |
| η | 0.0020925 | Pa×s | 359.88 | Calculated Property |
| η | 0.0013832 | Pa×s | 386.91 | Calculated Property |
| η | 0.0009651 | Pa×s | 413.93 | Calculated Property |
| η | 0.0007038 | Pa×s | 440.96 | Calculated Property |
| η | 0.0005323 | Pa×s | 467.98 | Calculated Property |
| η | 0.0004151 | Pa×s | 495.00 | Calculated Property |
| η | 0.0003321 | Pa×s | 522.03 | Calculated Property |
| η | 0.0002716 | Pa×s | 549.05 | Calculated Property |
| η | 0.0002263 | Pa×s | 576.08 | Calculated Property |
Similar Compounds
Find more compounds similar to 17-Octadecenal.
Sources
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