- InChI
- InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
- InChI Key
- ZPQAKYPOZRXKFA-UHFFFAOYSA-N
- Formula
- C11H22O
- SMILES
- CCCCCC(=O)CCCCC
- Molecular Weight1
- 170.29
- CAS
- 927-49-1
- Other Names
-
- 6-Oxoundecane
- Amyl ketone
- Di-N-amyl ketone
- Diamyl ketone
- Dipentyl ketone
- Pentyl ketone
- Undecan-6-one
- Undecanone-(6)
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -7024.60 ± 1.80 | kJ/mol | NIST |
| ΔfG° | -87.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -387.40 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -448.10 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 25.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [59.00; 63.50] | kJ/mol |
|
| ΔvapH° | 59.00 | kJ/mol | NIST |
| ΔvapH° | 61.80 | kJ/mol | NIST |
| ΔvapH° | 63.50 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 60.72 ± 0.50 | kJ/mol | NIST |
| 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 | [1231.00; 1274.00] |
|
|
| Inp | Outlier 1231.00 | NIST | |
| Inp | 1237.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | Outlier 1274.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1258.00 | NIST | |
| I | [1527.00; 1528.00] |
|
|
| I | 1527.00 | NIST | |
| I | 1528.00 | NIST | |
| I | 1528.00 | NIST | |
| I | 1528.00 | NIST | |
| I | 1528.00 | NIST | |
| Tboil | [438.15; 501.20] | K |
|
| Tboil | 501.20 | K | NIST |
| Tboil | 496.00 ± 5.00 | K | NIST |
| Tboil | 498.00 ± 5.00 | K | NIST |
| Tboil | 501.20 ± 0.60 | K | NIST |
| Tboil | 496.00 ± 4.00 | K | NIST |
| Tboil | Outlier 438.15 ± 15.00 | K | NIST |
| Tc | 678.50 ± 1.50 | K | NIST |
| Tfus | [270.00; 288.00] | K |
|
| Tfus | 285.70 ± 3.00 | K | NIST |
| Tfus | 288.00 ± 3.00 | K | NIST |
| Tfus | 287.70 ± 1.50 | K | NIST |
| Tfus | 287.00 ± 4.00 | K | NIST |
| Tfus | Outlier 270.00 ± 10.00 | K | NIST |
| Tfus | 287.80 ± 2.00 | K | NIST |
| Tfus | 287.00 ± 3.00 | K | NIST |
| Tfus | 287.80 ± 4.00 | 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 |
| Cp,liquid | 362.70 | J/mol×K | 298.15 | NIST |
| 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 |
| ΔvapH | [45.80; 55.30] | kJ/mol | [448.50; 487.00] |
|
| ΔvapH | 45.80 | kJ/mol | 448.50 | NIST |
| ΔvapH | 55.30 | kJ/mol | 465.50 | NIST |
| ΔvapH | 50.40 | kJ/mol | 487.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [378.42; 516.11] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61826e+01 | |||
| Coefficient B | -4.73593e+03 | |||
| Coefficient C | -8.04700e+01 | |||
| Temperature range, min. | 378.42 | |||
| Temperature range, max. | 516.11 | |||
| Pvap | 1.33 | kPa | 378.42 | Calculated Property |
| Pvap | 2.90 | kPa | 393.72 | Calculated Property |
| Pvap | 5.86 | kPa | 409.02 | Calculated Property |
| Pvap | 11.13 | kPa | 424.32 | Calculated Property |
| Pvap | 20.00 | kPa | 439.62 | Calculated Property |
| Pvap | 34.29 | kPa | 454.91 | Calculated Property |
| Pvap | 56.33 | kPa | 470.21 | Calculated Property |
| Pvap | 89.14 | kPa | 485.51 | Calculated Property |
| Pvap | 136.42 | kPa | 500.81 | Calculated Property |
| Pvap | 202.64 | kPa | 516.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Undecanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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