- InChI
- InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
- InChI Key
- YGHRJJRRZDOVPD-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- CC(C)CC=O
- Molecular Weight1
- 86.13
- CAS
- 590-86-3
- Other Names
-
- 1-Butanal, 3-methyl-
- 2-Methylbutanal-4
- 3-Methylbutan-1-al
- 3-methyl-1-butanal
- 3-methylbutanal
- 3-methylbutyraldehyde
- Isoamylaldehyde
- Isopentaldehyde
- Isovaleric aldehyde
- Isovalerylaldehyde
- NSC 404119
- butyraldehyde, 3-methyl-
- iso-C4H9CHO
- isopentanal
- isovaleral
- isovaleraldehyde
- «beta»-Methylbutanal
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- Ip : 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 |
|---|---|---|---|
| ω | 0.3507 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -242.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.68; 9.72] | eV |
|
| IE | 9.72 | eV | NIST |
| IE | 9.70 ± 0.01 | eV | NIST |
| IE | 9.68 ± 0.02 | eV | NIST |
| IE | 9.71 ± 0.05 | eV | NIST |
| log10WS | -0.73 | Relay (1.0) 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 | [611.00; 697.00] |
|
|
| Inp | 639.23 | NIST | |
| Inp | 633.83 | NIST | |
| Inp | 634.98 | NIST | |
| Inp | 636.40 | NIST | |
| Inp | 637.46 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 636.10 | NIST | |
| Inp | 649.60 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | Outlier 615.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | Outlier 686.00 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | Outlier 686.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 624.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | Outlier 617.00 | NIST | |
| Inp | Outlier 617.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | Outlier 617.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 649.75 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | Outlier 611.00 | NIST | |
| Inp | Outlier 614.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 621.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | Outlier 697.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | Outlier 678.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | Outlier 678.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | Outlier 613.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | Outlier 689.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 624.57 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 636.00 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 649.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 659.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 647.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 656.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 654.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 622.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 637.00 | NIST | |
| Inp | 634.00 | NIST | |
| Inp | Outlier 615.00 | NIST | |
| Ip | [876.00; 957.00] |
|
|
| Ip | Outlier 951.00 | NIST | |
| Ip | 936.00 | NIST | |
| Ip | 940.30 | NIST | |
| Ip | 945.60 | NIST | |
| Ip | 900.00 | NIST | |
| Ip | 938.00 | NIST | |
| Ip | 900.00 | NIST | |
| Ip | 937.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 921.00 | NIST | |
| Ip | 922.00 | NIST | |
| Ip | 927.00 | NIST | |
| Ip | 913.00 | NIST | |
| Ip | 933.00 | NIST | |
| Ip | Outlier 876.00 | NIST | |
| Ip | 930.00 | NIST | |
| Ip | 916.00 | NIST | |
| Ip | 909.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 918.00 | NIST | |
| Ip | 940.00 | NIST | |
| Ip | 930.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 928.00 | NIST | |
| Ip | 941.00 | NIST | |
| Ip | 906.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 922.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 932.00 | NIST | |
| Ip | 932.00 | NIST | |
| Ip | 907.00 | NIST | |
| Ip | 943.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 902.00 | NIST | |
| Ip | 911.00 | NIST | |
| Ip | 911.00 | NIST | |
| Ip | 919.00 | NIST | |
| Ip | 911.00 | NIST | |
| Ip | 909.00 | NIST | |
| Ip | 906.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 936.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 911.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 918.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 921.00 | NIST | |
| Ip | Outlier 949.00 | NIST | |
| Ip | 919.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | Outlier 950.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | 911.00 | NIST | |
| Ip | 910.00 | NIST | |
| Ip | 921.00 | NIST | |
| Ip | 931.00 | NIST | |
| Ip | 945.00 | NIST | |
| Ip | 945.00 | NIST | |
| Ip | Outlier 957.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 933.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 922.00 | NIST | |
| Ip | 930.00 | NIST | |
| Ip | 923.00 | NIST | |
| Ip | 916.00 | NIST | |
| Ip | 924.00 | NIST | |
| Ip | 901.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 927.00 | NIST | |
| Ip | 909.00 | NIST | |
| Ip | 922.00 | NIST | |
| Ip | 932.00 | NIST | |
| Ip | 937.00 | NIST | |
| Ip | 939.00 | NIST | |
| Ip | 934.00 | NIST | |
| Ip | 922.00 | NIST | |
| Ip | 910.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 916.00 | NIST | |
| Ip | 913.00 | NIST | |
| Ip | 923.00 | NIST | |
| Ip | 906.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 932.00 | NIST | |
| Ip | 933.00 | NIST | |
| Ip | 936.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | Outlier 884.00 | NIST | |
| Ip | Outlier 884.00 | NIST | |
| Ip | 916.00 | NIST | |
| Ip | 911.00 | NIST | |
| Ip | 913.00 | NIST | |
| Ip | 918.00 | NIST | |
| Ip | 923.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | Outlier 884.00 | NIST | |
| Ip | 935.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 927.00 | NIST | |
| Ip | Outlier 884.00 | NIST | |
| Ip | 924.00 | NIST | |
| Ip | Outlier 884.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 907.00 | NIST | |
| Ip | Outlier 957.00 | NIST | |
| Ip | 906.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 899.00 | NIST | |
| Ip | 937.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 937.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 904.00 | NIST | |
| Ip | 907.00 | NIST | |
| Ip | 896.00 | NIST | |
| Ip | 905.00 | NIST | |
| Ip | 914.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 918.00 | NIST | |
| Ip | 918.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 925.00 | NIST | |
| Ip | 931.00 | NIST | |
| Ip | 895.00 | NIST | |
| Ip | 910.00 | NIST | |
| Ip | 922.00 | NIST | |
| Ip | 900.00 | NIST | |
| Ip | 897.00 | NIST | |
| Ip | 900.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 931.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 916.00 | NIST | |
| Ip | 910.00 | NIST | |
| Ip | 927.00 | NIST | |
| Ip | 909.00 | NIST | |
| Ip | 910.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 906.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 902.00 | NIST | |
| Ip | 938.00 | NIST | |
| Ip | 902.00 | NIST | |
| Ip | 923.00 | NIST | |
| Ip | 931.00 | NIST | |
| Ip | 913.00 | NIST | |
| Ip | 936.00 | NIST | |
| Ip | 919.00 | NIST | |
| Ip | 923.00 | NIST | |
| Ip | 937.00 | NIST | |
| Ip | 931.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 913.00 | NIST | |
| Ip | 926.00 | NIST | |
| Ip | 927.00 | NIST | |
| Ip | 913.00 | NIST | |
| Ip | 936.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 917.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 921.00 | NIST | |
| Ip | 937.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 918.00 | NIST | |
| Ip | Outlier 950.00 | NIST | |
| Ip | 928.00 | NIST | |
| Ip | 922.00 | NIST | |
| Ip | 930.00 | NIST | |
| Ip | 940.00 | NIST | |
| Ip | 941.00 | NIST | |
| Ip | 915.00 | NIST | |
| Ip | 943.00 | NIST | |
| Ip | 919.00 | NIST | |
| Ip | 936.00 | NIST | |
| Ip | 918.00 | NIST | |
| Ip | 896.00 | NIST | |
| Ip | 910.00 | NIST | |
| Ip | 929.00 | NIST | |
| Ip | 916.00 | NIST | |
| Ip | 912.00 | NIST | |
| Ip | 902.00 | NIST | |
| Ip | 913.00 | NIST | |
| Ip | 920.00 | NIST | |
| Ip | 937.00 | NIST | |
| Tboil | [363.20; 366.15] | K |
|
| Tboil | Outlier 363.20 | K | NIST |
| Tboil | 365.70 | K | NIST |
| Tboil | 365.74 ± 0.02 | K | NIST |
| Tboil | 365.25 ± 1.00 | K | NIST |
| Tboil | 365.30 ± 0.70 | K | NIST |
| Tboil | 365.75 ± 1.00 | K | NIST |
| Tboil | 365.00 ± 2.00 | K | NIST |
| Tboil | 364.65 ± 3.00 | K | NIST |
| Tboil | 365.40 ± 1.00 | K | NIST |
| Tboil | 365.85 ± 1.00 | K | NIST |
| Tboil | 364.95 ± 1.50 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tboil | 366.15 ± 2.00 | K | NIST |
| Tboil | 365.15 ± 2.00 | K | NIST |
| Tboil | 365.75 ± 2.00 | K | NIST |
| Tc | 550.34 | K | Relay (1.0) Calculated Property |
| Tfus | [167.70; 222.15] | K |
|
| Tfus | 222.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 167.70 ± 1.00 | K | NIST |
| Vc | 0.299 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.15; 268.60] | 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 | 8.06100e+00 | |||
| Coefficient B | 4.59240e-01 | |||
| Coefficient C | -2.44400e-04 | |||
| Coefficient D | 4.57000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 116.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 165.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 186.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 204.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 221.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 235.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 248.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 259.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 268.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032832; 0.0002667] | Pa×s | [194.93; 377.55] |
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 | -1.09091e+01 | |||
| Coefficient B | 1.01169e+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. | 194.93 | |||
| Temperature range, max. | 377.55 | |||
| η | 0.0032832 | Pa×s | 194.93 | Calculated Property |
| η | 0.0020126 | Pa×s | 215.22 | Calculated Property |
| η | 0.0013423 | Pa×s | 235.51 | Calculated Property |
| η | 0.0009547 | Pa×s | 255.80 | Calculated Property |
| η | 0.0007139 | Pa×s | 276.09 | Calculated Property |
| η | 0.0005555 | Pa×s | 296.39 | Calculated Property |
| η | 0.0004464 | Pa×s | 316.68 | Calculated Property |
| η | 0.0003682 | Pa×s | 336.97 | Calculated Property |
| η | 0.0003105 | Pa×s | 357.26 | Calculated Property |
| η | 0.0002667 | Pa×s | 377.55 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [272.00; 388.49] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45335e+01 | |||
| Coefficient B | -3.04644e+03 | |||
| Coefficient C | -5.81500e+01 | |||
| Temperature range, min. | 272.00 | |||
| Temperature range, max. | 388.49 | |||
| Pvap | 1.33 | kPa | 272.00 | Calculated Property |
| Pvap | 3.01 | kPa | 284.94 | Calculated Property |
| Pvap | 6.21 | kPa | 297.89 | Calculated Property |
| Pvap | 11.91 | kPa | 310.83 | Calculated Property |
| Pvap | 21.42 | kPa | 323.77 | Calculated Property |
| Pvap | 36.50 | kPa | 336.72 | Calculated Property |
| Pvap | 59.32 | kPa | 349.66 | Calculated Property |
| Pvap | 92.50 | kPa | 362.60 | Calculated Property |
| Pvap | 139.11 | kPa | 375.55 | Calculated Property |
| Pvap | 202.63 | kPa | 388.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanal, 3-methyl-.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- 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
- Activity Coefficients at Infinite Dilution of Volatile Compounds in Water: Effect of Temperature and Salt Concentration
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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