- InChI
- InChI=1S/C11H22O/c1-3-5-7-8-10-11(12)9-6-4-2/h3-10H2,1-2H3
- InChI Key
- WENNKWXPAWNIOO-UHFFFAOYSA-N
- Formula
- C11H22O
- SMILES
- CCCCCCC(=O)CCCC
- Molecular Weight1
- 170.29
- CAS
- 33083-83-9
- Other Names
-
- Butyl hexyl ketone
- Undecan-5-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).
- 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 |
| Tboil | 504.95 | K | Joback Calculated Property |
| Tc | 679.40 ± 1.50 | K | NIST |
| Tfus | 275.00 ± 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 |
| 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 | 378.80 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [377.62; 527.09] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53084e+01 | |||
| Coefficient B | -4.46763e+03 | |||
| Coefficient C | -8.01920e+01 | |||
| Temperature range, min. | 377.62 | |||
| Temperature range, max. | 527.09 | |||
| Pvap | 1.33 | kPa | 377.62 | Calculated Property |
| Pvap | 2.95 | kPa | 394.23 | Calculated Property |
| Pvap | 6.03 | kPa | 410.84 | Calculated Property |
| Pvap | 11.50 | kPa | 427.44 | Calculated Property |
| Pvap | 20.70 | kPa | 444.05 | Calculated Property |
| Pvap | 35.37 | kPa | 460.66 | Calculated Property |
| Pvap | 57.81 | kPa | 477.27 | Calculated Property |
| Pvap | 90.81 | kPa | 493.87 | Calculated Property |
| Pvap | 137.78 | kPa | 510.48 | Calculated Property |
| Pvap | 202.65 | kPa | 527.09 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Undecanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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