- InChI
- InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
- InChI Key
- BYGQBDHUGHBGMD-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- CCC(C)C=O
- Molecular Weight1
- 86.13
- CAS
- 96-17-3
- Other Names
-
- (.+/-.)-2-Methylbutanal
- 2-Ethylpropanal
- 2-Formylbutane
- 2-Methyl-1-butanal
- 2-Methylbutanal
- 2-Methylbutyraldehyde
- 2-Methylbutyric aldehyde
- Acetaldehyde, ethylmethyl-
- Butyraldehyde, 2-methyl-
- Methylethylacetaldehyde
- NSC 77077
- sec-C4H9CHO
- «alpha»-Methylbutanal
- «alpha»-Methylbutyraldehyde
- «alpha»-Methylbutyric aldehyde
- «alpha»-Methylbutanal
- «alpha»-Methylbutyraldehyde
- «alpha»-Methylbutyric 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).
- 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).
- 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° | -110.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.06 | kJ/mol | Joback Calculated Property |
| IE | 9.59 ± 0.01 | eV | NIST |
| log10WS | -0.95 | Crippen Calculated Property | |
| logPoct/wat | 1.231 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Inp | [620.00; 689.00] |
|
|
| Inp | 650.03 | NIST | |
| Inp | 644.21 | NIST | |
| Inp | 645.33 | NIST | |
| Inp | 664.90 | NIST | |
| Inp | 648.21 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | Outlier 627.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | Outlier 688.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | Outlier 625.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 665.47 | NIST | |
| Inp | 667.42 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | Outlier 620.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | Outlier 689.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 669.70 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 636.27 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | Outlier 625.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 645.00 | NIST | |
| I | [880.00; 963.00] |
|
|
| I | Outlier 949.30 | NIST | |
| I | 931.20 | NIST | |
| I | 936.70 | NIST | |
| I | 942.80 | NIST | |
| I | 896.00 | NIST | |
| I | 926.00 | NIST | |
| I | 915.00 | NIST | |
| I | 920.00 | NIST | |
| I | 942.00 | NIST | |
| I | 908.00 | NIST | |
| I | 933.00 | NIST | |
| I | Outlier 961.00 | NIST | |
| I | 930.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | 905.00 | NIST | |
| I | 900.00 | NIST | |
| I | 914.00 | NIST | |
| I | 915.00 | NIST | |
| I | 928.00 | NIST | |
| I | 937.00 | NIST | |
| I | 908.00 | NIST | |
| I | 908.00 | NIST | |
| I | 916.00 | NIST | |
| I | 904.00 | NIST | |
| I | 935.00 | NIST | |
| I | 907.00 | NIST | |
| I | 906.00 | NIST | |
| I | 903.00 | NIST | |
| I | 903.00 | NIST | |
| I | 912.00 | NIST | |
| I | 909.00 | NIST | |
| I | 914.00 | NIST | |
| I | 915.00 | NIST | |
| I | 914.00 | NIST | |
| I | 916.00 | NIST | |
| I | 915.00 | NIST | |
| I | 917.00 | NIST | |
| I | 920.00 | NIST | |
| I | 922.00 | NIST | |
| I | 922.00 | NIST | |
| I | 897.00 | NIST | |
| I | 905.00 | NIST | |
| I | 945.00 | NIST | |
| I | 936.00 | NIST | |
| I | 945.00 | NIST | |
| I | 909.00 | NIST | |
| I | 914.00 | NIST | |
| I | 922.00 | NIST | |
| I | 944.00 | NIST | |
| I | 916.00 | NIST | |
| I | 920.00 | NIST | |
| I | 920.00 | NIST | |
| I | 930.00 | NIST | |
| I | 917.00 | NIST | |
| I | 905.00 | NIST | |
| I | 911.00 | NIST | |
| I | 907.00 | NIST | |
| I | 917.00 | NIST | |
| I | 922.00 | NIST | |
| I | 906.00 | NIST | |
| I | 925.00 | NIST | |
| I | 925.00 | NIST | |
| I | 926.00 | NIST | |
| I | 921.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | 915.00 | NIST | |
| I | 913.00 | NIST | |
| I | 920.00 | NIST | |
| I | 926.00 | NIST | |
| I | 910.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | 913.00 | NIST | |
| I | 920.00 | NIST | |
| I | 906.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | 914.00 | NIST | |
| I | 912.00 | NIST | |
| I | 903.00 | NIST | |
| I | 912.00 | NIST | |
| I | 899.00 | NIST | |
| I | 904.00 | NIST | |
| I | 891.00 | NIST | |
| I | 911.00 | NIST | |
| I | 914.00 | NIST | |
| I | 914.00 | NIST | |
| I | 920.00 | NIST | |
| I | 908.00 | NIST | |
| I | 908.00 | NIST | |
| I | 900.00 | NIST | |
| I | 897.00 | NIST | |
| I | 897.00 | NIST | |
| I | 914.00 | NIST | |
| I | 916.00 | NIST | |
| I | 905.00 | NIST | |
| I | 913.00 | NIST | |
| I | 910.00 | NIST | |
| I | 912.00 | NIST | |
| I | 903.00 | NIST | |
| I | 906.00 | NIST | |
| I | 903.00 | NIST | |
| I | 907.00 | NIST | |
| I | 903.00 | NIST | |
| I | 886.00 | NIST | |
| I | 922.00 | NIST | |
| I | 925.00 | NIST | |
| I | 913.00 | NIST | |
| I | 931.00 | NIST | |
| I | 915.00 | NIST | |
| I | 922.00 | NIST | |
| I | Outlier 960.00 | NIST | |
| I | 925.00 | NIST | |
| I | 913.00 | NIST | |
| I | 921.00 | NIST | |
| I | Outlier 963.00 | NIST | |
| I | 913.00 | NIST | |
| I | 936.00 | NIST | |
| I | 913.00 | NIST | |
| I | 916.00 | NIST | |
| I | 896.00 | NIST | |
| I | 891.00 | NIST | |
| I | 908.00 | NIST | |
| I | 914.00 | NIST | |
| I | 912.00 | NIST | |
| I | 903.00 | NIST | |
| I | 931.00 | NIST | |
| I | 913.00 | NIST | |
| I | 915.00 | NIST | |
| I | Outlier 961.00 | NIST | |
| I | 900.00 | NIST | |
| I | 907.00 | NIST | |
| I | 909.00 | NIST | |
| I | 920.00 | NIST | |
| I | 911.00 | NIST | |
| I | 925.00 | NIST | |
| I | Outlier 880.00 | NIST | |
| I | 910.00 | NIST | |
| Tboil | 362.02 | K | Joback Calculated Property |
| Tc | 539.07 | K | Joback Calculated Property |
| Tfus | 167.70 ± 0.70 | K | NIST |
| Vc | 0.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.45; 191.76] | J/mol×K | [362.02; 539.07] |
|
| Cp,gas | 144.45 | J/mol×K | 362.02 | Joback Calculated Property |
| Cp,gas | 153.14 | J/mol×K | 391.53 | Joback Calculated Property |
| Cp,gas | 161.50 | J/mol×K | 421.04 | Joback Calculated Property |
| Cp,gas | 169.54 | J/mol×K | 450.54 | Joback Calculated Property |
| Cp,gas | 177.25 | J/mol×K | 480.05 | Joback Calculated Property |
| Cp,gas | 184.66 | J/mol×K | 509.56 | Joback Calculated Property |
| Cp,gas | 191.76 | J/mol×K | 539.07 | Joback Calculated Property |
| η | [0.0002992; 0.0063146] | Pa×s | [173.11; 362.02] |
|
| η | 0.0063146 | Pa×s | 173.11 | Joback Calculated Property |
| η | 0.0025690 | Pa×s | 204.59 | Joback Calculated Property |
| η | 0.0013285 | Pa×s | 236.08 | Joback Calculated Property |
| η | 0.0008023 | Pa×s | 267.56 | Joback Calculated Property |
| η | 0.0005388 | Pa×s | 299.05 | Joback Calculated Property |
| η | 0.0003904 | Pa×s | 330.53 | Joback Calculated Property |
| η | 0.0002992 | Pa×s | 362.02 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [272.53; 387.75] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46588e+01 | |||
| Coefficient B | -3.08091e+03 | |||
| Coefficient C | -5.81500e+01 | |||
| Temperature range, min. | 272.53 | |||
| Temperature range, max. | 387.75 | |||
| Pvap | 1.33 | kPa | 272.53 | Calculated Property |
| Pvap | 3.00 | kPa | 285.33 | Calculated Property |
| Pvap | 6.18 | kPa | 298.13 | Calculated Property |
| Pvap | 11.83 | kPa | 310.94 | Calculated Property |
| Pvap | 21.29 | kPa | 323.74 | Calculated Property |
| Pvap | 36.30 | kPa | 336.54 | Calculated Property |
| Pvap | 59.06 | kPa | 349.34 | Calculated Property |
| Pvap | 92.21 | kPa | 362.15 | Calculated Property |
| Pvap | 138.88 | kPa | 374.95 | Calculated Property |
| Pvap | 202.62 | kPa | 387.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanal, 2-methyl-.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Limiting Separation Factors and Limiting Activity Coefficients for Hexanal, 2-Methylbutanal, 3-Methylbutanal, and Dimethylsulfide in Water at (98.1 to 99.0) deg C
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.