- InChI
- InChI=1S/C18H36O/c1-3-5-7-8-9-10-11-12-13-14-15-17-18(19)16-6-4-2/h3-17H2,1-2H3
- InChI Key
- RLQCXKKPOOBJFD-UHFFFAOYSA-N
- Formula
- C18H36O
- SMILES
- CCCCCCCCCCCCCC(=O)CCCC
- Molecular Weight1
- 268.48
- CAS
- 18276-99-8
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -28.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.64 | Crippen Calculated Property | |
| logPoct/wat | 6.447 | Crippen Calculated Property | |
| McVol | 266.050 | ml/mol | McGowan Calculated Property |
| Pc | 1203.12 | kPa | Joback Calculated Property |
| Tboil | 665.11 | K | Joback Calculated Property |
| Tc | 832.25 | K | Joback Calculated Property |
| Tfus | 318.00 ± 3.00 | K | NIST |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [757.85; 859.94] | J/mol×K | [665.11; 832.25] | 
|
| Cp,gas | 757.85 | J/mol×K | 665.11 | Joback Calculated Property |
| Cp,gas | 776.85 | J/mol×K | 692.97 | Joback Calculated Property |
| Cp,gas | 795.03 | J/mol×K | 720.82 | Joback Calculated Property |
| Cp,gas | 812.39 | J/mol×K | 748.68 | Joback Calculated Property |
| Cp,gas | 828.99 | J/mol×K | 776.54 | Joback Calculated Property |
| Cp,gas | 844.83 | J/mol×K | 804.39 | Joback Calculated Property |
| Cp,gas | 859.94 | J/mol×K | 832.25 | Joback Calculated Property |
| η | [0.0001238; 0.0029992] | Pa×s | [342.55; 665.11] |
|
| η | 0.0029992 | Pa×s | 342.55 | Joback Calculated Property |
| η | 0.0012297 | Pa×s | 396.31 | Joback Calculated Property |
| η | 0.0006238 | Pa×s | 450.07 | Joback Calculated Property |
| η | 0.0003658 | Pa×s | 503.83 | Joback Calculated Property |
| η | 0.0002378 | Pa×s | 557.59 | Joback Calculated Property |
| η | 0.0001667 | Pa×s | 611.35 | Joback Calculated Property |
| η | 0.0001238 | Pa×s | 665.11 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [460.52; 646.30] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48220e+01 | |||
| Coefficient B | -5.11167e+03 | |||
| Coefficient C | -1.08826e+02 | |||
| Temperature range, min. | 460.52 | |||
| Temperature range, max. | 646.30 | |||
| Pvap | 1.33 | kPa | 460.52 | Calculated Property |
| Pvap | 2.98 | kPa | 481.16 | Calculated Property |
| Pvap | 6.14 | kPa | 501.80 | Calculated Property |
| Pvap | 11.75 | kPa | 522.45 | Calculated Property |
| Pvap | 21.14 | kPa | 543.09 | Calculated Property |
| Pvap | 36.06 | kPa | 563.73 | Calculated Property |
| Pvap | 58.73 | kPa | 584.37 | Calculated Property |
| Pvap | 91.85 | kPa | 605.02 | Calculated Property |
| Pvap | 138.60 | kPa | 625.66 | Calculated Property |
| Pvap | 202.65 | kPa | 646.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Octadecanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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