- InChI
- InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
- InChI Key
- NFAVNWJJYQAGNB-UHFFFAOYSA-N
- Formula
- C12H24O
- SMILES
- CCCCCCCCCC(C)C=O
- Molecular Weight1
- 184.32
- CAS
- 110-41-8
- Other Names
-
- 2-Methyl-1-undecanal
- 2-Methylundecanal
- Aldehyde C-12
- Aldehyde M.N.A.
- MNA
- Methyl-n-nonylacetaldehyde
- Methylnonylacetaldehyde
- Methylnonylacetic aldehyde
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -51.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.64 | 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 | 1910.24 | kPa | Joback Calculated Property |
| Inp | [1306.00; 1363.00] |
|
|
| Inp | 1349.80 | NIST | |
| Inp | 1363.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1306.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1349.80 | NIST | |
| I | [1609.00; 1644.00] |
|
|
| I | 1636.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1609.00 | NIST | |
| Tboil | 444.20 | K | NIST |
| Tc | 691.72 | K | Joback Calculated Property |
| Tfus | 252.00 | K | Joback Calculated Property |
| Vc | 0.719 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.65; 522.91] | J/mol×K | [522.18; 691.72] |
|
| Cp,gas | 436.65 | J/mol×K | 522.18 | Joback Calculated Property |
| Cp,gas | 452.61 | J/mol×K | 550.44 | Joback Calculated Property |
| Cp,gas | 467.92 | J/mol×K | 578.69 | Joback Calculated Property |
| Cp,gas | 482.58 | J/mol×K | 606.95 | Joback Calculated Property |
| Cp,gas | 496.62 | J/mol×K | 635.20 | Joback Calculated Property |
| Cp,gas | 510.06 | J/mol×K | 663.46 | Joback Calculated Property |
| Cp,gas | 522.91 | J/mol×K | 691.72 | Joback Calculated Property |
| η | [0.0002384; 0.0073643] | Pa×s | [252.00; 522.18] |
|
| η | 0.0073643 | Pa×s | 252.00 | Joback Calculated Property |
| η | 0.0026953 | Pa×s | 297.03 | Joback Calculated Property |
| η | 0.0012853 | Pa×s | 342.06 | Joback Calculated Property |
| η | 0.0007282 | Pa×s | 387.09 | Joback Calculated Property |
| η | 0.0004644 | Pa×s | 432.12 | Joback Calculated Property |
| η | 0.0003224 | Pa×s | 477.15 | Joback Calculated Property |
| η | 0.0002384 | Pa×s | 522.18 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [397.40; 551.09] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55071e+01 | |||
| Coefficient B | -4.74693e+03 | |||
| Coefficient C | -8.55010e+01 | |||
| Temperature range, min. | 397.40 | |||
| Temperature range, max. | 551.09 | |||
| Pvap | 1.33 | kPa | 397.40 | Calculated Property |
| Pvap | 2.94 | kPa | 414.48 | Calculated Property |
| Pvap | 5.99 | kPa | 431.55 | Calculated Property |
| Pvap | 11.41 | kPa | 448.63 | Calculated Property |
| Pvap | 20.53 | kPa | 465.71 | Calculated Property |
| Pvap | 35.11 | kPa | 482.78 | Calculated Property |
| Pvap | 57.45 | kPa | 499.86 | Calculated Property |
| Pvap | 90.42 | kPa | 516.94 | Calculated Property |
| Pvap | 137.46 | kPa | 534.01 | Calculated Property |
| Pvap | 202.66 | kPa | 551.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecanal, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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