- 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
- 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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.5898 | Relay (1.0) Calculated Property | |
| ΔfG° | -87.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) 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 | |
| Ip | [1555.00; 1586.00] |
|
|
| Ip | 1586.00 | NIST | |
| Ip | 1571.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Ip | 1586.00 | NIST | |
| Ip | 1555.00 | NIST | |
| Tboil | [500.00; 500.20] | K |
|
| Tboil | 500.20 | K | NIST |
| Tboil | 500.00 ± 4.00 | K | NIST |
| Tc | [684.60; 685.00] | K |
|
| Tc | 685.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 684.60 ± 1.30 | K | NIST |
| Tfus | [277.70; 285.70] | K |
|
| Tfus | 285.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 285.70 ± 2.00 | K | NIST |
| Tfus | 277.70 ± 2.00 | K | NIST |
| Vc | 0.692 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.76; 575.85] | 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 | 2.48000e-01 | |||
| Coefficient B | 1.02084e+00 | |||
| Coefficient C | -5.55900e-04 | |||
| Coefficient D | 1.10660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 239.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 296.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 347.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 393.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 434.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 470.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 502.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 530.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 554.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 575.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029835; 0.0002968] | Pa×s | [282.85; 479.36] |
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 | -1.14445e+01 | |||
| Coefficient B | 1.59239e+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. | 282.85 | |||
| Temperature range, max. | 479.36 | |||
| η | 0.0029835 | Pa×s | 282.85 | Calculated Property |
| η | 0.0019930 | Pa×s | 304.68 | Calculated Property |
| η | 0.0014052 | Pa×s | 326.52 | Calculated Property |
| η | 0.0010351 | Pa×s | 348.35 | Calculated Property |
| η | 0.0007905 | Pa×s | 370.19 | Calculated Property |
| η | 0.0006221 | Pa×s | 392.02 | Calculated Property |
| η | 0.0005021 | Pa×s | 413.86 | Calculated Property |
| η | 0.0004140 | Pa×s | 435.69 | Calculated Property |
| η | 0.0003478 | Pa×s | 457.53 | Calculated Property |
| η | 0.0002968 | Pa×s | 479.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [377.62; 529.86] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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