- InChI
- InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h13-14,18H,2-12,15-17H2,1H3/b14-13+
- InChI Key
- MCCQBYWXEBKFOS-BUHFOSPRSA-N
- Formula
- C18H34O
- SMILES
- CCCCCCCCCCCCC=CCCCC=O
- Molecular Weight1
- 266.46
- CAS
- 56554-88-2
- 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 | 0.7860 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.223 | Crippen Calculated Property | |
| McVol | 261.750 | ml/mol | McGowan Calculated Property |
| Pc | 1257.48 | kPa | Joback Calculated Property |
| Tboil | 588.03 | K | Relay (1.0) Calculated Property |
| Tc | 781.46 | K | Relay (1.0) Calculated Property |
| Tfus | 294.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.994 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.24; 908.16] | 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 | -1.62560e+01 | |||
| Coefficient B | 1.70832e+00 | |||
| Coefficient C | -1.03220e-03 | |||
| Coefficient D | 2.48300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 378.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 469.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 623.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 687.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 744.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 793.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 836.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 874.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 908.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032761; 0.0001857] | Pa×s | [329.54; 583.28] |
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 | -1.23187e+01 | |||
| Coefficient B | 2.17419e+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. | 329.54 | |||
| Temperature range, max. | 583.28 | |||
| η | 0.0032761 | Pa×s | 329.54 | Calculated Property |
| η | 0.0019478 | Pa×s | 357.73 | Calculated Property |
| η | 0.0012494 | Pa×s | 385.93 | Calculated Property |
| η | 0.0008514 | Pa×s | 414.12 | Calculated Property |
| η | 0.0006093 | Pa×s | 442.32 | Calculated Property |
| η | 0.0004538 | Pa×s | 470.51 | Calculated Property |
| η | 0.0003495 | Pa×s | 498.70 | Calculated Property |
| η | 0.0002768 | Pa×s | 526.90 | Calculated Property |
| η | 0.0002244 | Pa×s | 555.09 | Calculated Property |
| η | 0.0001857 | Pa×s | 583.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Octadecenal.
Sources
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