- InChI
- InChI=1S/C12H24O/c1-4-5-6-7-8-12(13)10-9-11(2)3/h11H,4-10H2,1-3H3
- InChI Key
- JLTHSCDXCKBHCZ-UHFFFAOYSA-N
- Formula
- C12H24O
- SMILES
- CCCCCCC(=O)CCC(C)C
- Molecular Weight1
- 184.32
- CAS
- 50639-02-6
- Other Names
-
- 2-Methyl-5-undecanone
- 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° | -81.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.66 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.962 | Crippen Calculated Property | |
| McVol | 181.510 | ml/mol | McGowan Calculated Property |
| Pc | 1892.00 | kPa | Joback Calculated Property |
| Tboil | 527.39 | K | Joback Calculated Property |
| Tc | 700.81 | K | Joback Calculated Property |
| Tfus | 259.93 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.53; 524.50] | J/mol×K | [527.39; 700.81] | 
|
| Cp,gas | 436.53 | J/mol×K | 527.39 | Joback Calculated Property |
| Cp,gas | 452.84 | J/mol×K | 556.29 | Joback Calculated Property |
| Cp,gas | 468.47 | J/mol×K | 585.20 | Joback Calculated Property |
| Cp,gas | 483.44 | J/mol×K | 614.10 | Joback Calculated Property |
| Cp,gas | 497.75 | J/mol×K | 643.00 | Joback Calculated Property |
| Cp,gas | 511.43 | J/mol×K | 671.91 | Joback Calculated Property |
| Cp,gas | 524.50 | J/mol×K | 700.81 | Joback Calculated Property |
| η | [0.0002185; 0.0063181] | Pa×s | [259.93; 527.39] |
|
| η | 0.0063181 | Pa×s | 259.93 | Joback Calculated Property |
| η | 0.0023924 | Pa×s | 304.51 | Joback Calculated Property |
| η | 0.0011609 | Pa×s | 349.08 | Joback Calculated Property |
| η | 0.0006635 | Pa×s | 393.66 | Joback Calculated Property |
| η | 0.0004250 | Pa×s | 438.24 | Joback Calculated Property |
| η | 0.0002955 | Pa×s | 482.81 | Joback Calculated Property |
| η | 0.0002185 | Pa×s | 527.39 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [384.84; 548.95] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45662e+01 | |||
| Coefficient B | -4.31660e+03 | |||
| Coefficient C | -8.25270e+01 | |||
| Temperature range, min. | 384.84 | |||
| Temperature range, max. | 548.95 | |||
| Pvap | 1.33 | kPa | 384.84 | Calculated Property |
| Pvap | 3.00 | kPa | 403.07 | Calculated Property |
| Pvap | 6.20 | kPa | 421.31 | Calculated Property |
| Pvap | 11.89 | kPa | 439.54 | Calculated Property |
| Pvap | 21.39 | kPa | 457.78 | Calculated Property |
| Pvap | 36.45 | kPa | 476.01 | Calculated Property |
| Pvap | 59.26 | kPa | 494.25 | Calculated Property |
| Pvap | 92.43 | kPa | 512.48 | Calculated Property |
| Pvap | 139.07 | kPa | 530.72 | Calculated Property |
| Pvap | 202.65 | kPa | 548.95 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Undecanone, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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