- InChI
- InChI=1S/C11H22O/c1-3-5-6-7-8-9-10-11(12)4-2/h3-10H2,1-2H3
- InChI Key
- YNMZZHPSYMOGCI-UHFFFAOYSA-N
- Formula
- C11H22O
- SMILES
- CCCCCCCCC(=O)CC
- Molecular Weight1
- 170.29
- CAS
- 2216-87-7
- Other Names
-
- Ethyl octyl ketone
- Undecan-3-one
- 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).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -87.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.716 | Crippen Calculated Property | |
| McVol | 167.420 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| ρc | 245.22 ± 6.81 | kg/m3 | NIST |
| Inp | [1255.00; 1298.00] |
|
|
| Inp | 1255.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1268.00 | NIST | |
| Inp | 1255.00 | NIST | |
| I | [1555.00; 1586.00] |
|
|
| I | 1586.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1586.00 | NIST | |
| I | 1555.00 | NIST | |
| Tboil | [500.00; 500.20] | K |
|
| Tboil | 500.20 | K | NIST |
| Tboil | 500.00 ± 4.00 | K | NIST |
| Tc | 684.60 ± 1.30 | K | NIST |
| Tfus | [277.70; 285.70] | K |
|
| Tfus | 285.70 ± 2.00 | K | NIST |
| Tfus | 277.70 ± 2.00 | K | NIST |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.23; 470.65] | J/mol×K | [504.95; 676.40] |
|
| Cp,gas | 388.23 | J/mol×K | 504.95 | Joback Calculated Property |
| Cp,gas | 403.46 | J/mol×K | 533.52 | Joback Calculated Property |
| Cp,gas | 418.07 | J/mol×K | 562.10 | Joback Calculated Property |
| Cp,gas | 432.09 | J/mol×K | 590.67 | Joback Calculated Property |
| Cp,gas | 445.51 | J/mol×K | 619.25 | Joback Calculated Property |
| Cp,gas | 458.36 | J/mol×K | 647.82 | Joback Calculated Property |
| Cp,gas | 470.65 | J/mol×K | 676.40 | Joback Calculated Property |
| η | [0.0002508; 0.0044945] | Pa×s | [263.66; 504.95] |
|
| η | 0.0044945 | Pa×s | 263.66 | Joback Calculated Property |
| η | 0.0020210 | Pa×s | 303.88 | Joback Calculated Property |
| η | 0.0010954 | Pa×s | 344.09 | Joback Calculated Property |
| η | 0.0006749 | Pa×s | 384.30 | Joback Calculated Property |
| η | 0.0004558 | Pa×s | 424.52 | Joback Calculated Property |
| η | 0.0003295 | Pa×s | 464.74 | Joback Calculated Property |
| η | 0.0002508 | Pa×s | 504.95 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [377.62; 529.86] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51264e+01 | |||
| Coefficient B | -4.41349e+03 | |||
| Coefficient C | -8.01920e+01 | |||
| Temperature range, min. | 377.62 | |||
| Temperature range, max. | 529.86 | |||
| Pvap | 1.33 | kPa | 377.62 | Calculated Property |
| Pvap | 2.96 | kPa | 394.54 | Calculated Property |
| Pvap | 6.07 | kPa | 411.45 | Calculated Property |
| Pvap | 11.59 | kPa | 428.37 | Calculated Property |
| Pvap | 20.86 | kPa | 445.28 | Calculated Property |
| Pvap | 35.62 | kPa | 462.20 | Calculated Property |
| Pvap | 58.14 | kPa | 479.11 | Calculated Property |
| Pvap | 91.19 | kPa | 496.03 | Calculated Property |
| Pvap | 138.07 | kPa | 512.94 | Calculated Property |
| Pvap | 202.64 | kPa | 529.86 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Undecanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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