- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5871 | Relay (1.0) Calculated Property | |
| ΔfG° | -81.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.15 | Relay (1.0) 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 | 499.22 | K | Relay (1.0) Calculated Property |
| Tc | 678.07 | K | Relay (1.0) Calculated Property |
| Tfus | 268.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.681 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.66; 627.98] | 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 | -2.34300e+00 | |||
| Coefficient B | 1.12176e+00 | |||
| Coefficient C | -6.13500e-04 | |||
| Coefficient D | 1.22060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 260.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 323.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 429.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 474.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 513.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 548.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 578.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 605.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 627.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063181; 0.0002789] | Pa×s | [259.93; 490.75] |
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 | -1.16983e+01 | |||
| Coefficient B | 1.72437e+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. | 259.93 | |||
| Temperature range, max. | 490.75 | |||
| η | 0.0063181 | Pa×s | 259.93 | Calculated Property |
| η | 0.0034821 | Pa×s | 285.58 | Calculated Property |
| η | 0.0021171 | Pa×s | 311.22 | Calculated Property |
| η | 0.0013885 | Pa×s | 336.87 | Calculated Property |
| η | 0.0009667 | Pa×s | 362.52 | Calculated Property |
| η | 0.0007060 | Pa×s | 388.16 | Calculated Property |
| η | 0.0005361 | Pa×s | 413.81 | Calculated Property |
| η | 0.0004203 | Pa×s | 439.46 | Calculated Property |
| η | 0.0003386 | Pa×s | 465.11 | Calculated Property |
| η | 0.0002789 | Pa×s | 490.75 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [384.84; 548.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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