- InChI
- InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
- InChI Key
- HGBOYTHUEUWSSQ-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- CCCCC=O
- Molecular Weight1
- 86.13
- CAS
- 110-62-3
- Other Names
-
- 1-Pentanal
- 1-butanecarbaldehyde
- Amyl aldehyde
- Butyl formal
- NSC 35404
- Pentan-1-al
- Pentylaldehyde
- UN 2058
- Valerianic aldehyde
- Valeric acid aldehyde
- Valeric aldehyde
- Valeryl aldehyde
- butanecarbaldehyde
- n-C4H9CHO
- n-Pentanal
- n-Valeraldehyde
- n-Valeric aldehyde
- pentanal (valeraldehyde)
- valderaldehyde
- valeral
- valeraldehyde
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- S°gas : Molar entropy at standard conditions (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.3304; 0.4000] |
|
|
| ω | 0.3304 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.3908 | ChemSep v8.3 pure component data Compiled value | |
| ω | 0.4000 | KDB | |
| PAff | 796.60 | kJ/mol | NIST |
| BasG | 764.80 | kJ/mol | NIST |
| μ | [2.57; 2.60] | debye |
|
| μ | 2.57 | debye | ChemSep v8.3 pure component data Compiled value |
| μ | 2.60 | debye | KDB |
| ΔfG° | [-108.40; -107.11] | kJ/mol |
|
| ΔfG° | -107.11 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | -108.40 | kJ/mol | KDB |
| ΔfH°gas | [-228.00; -226.69] | kJ/mol |
|
| ΔfH°gas | -226.69 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -228.00 | kJ/mol | KDB |
| ΔfusH° | 10.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [38.10; 38.60] | kJ/mol |
|
| ΔvapH° | 38.60 | kJ/mol | NIST |
| ΔvapH° | 38.30 | kJ/mol | NIST |
| ΔvapH° | 38.10 ± 0.10 | kJ/mol | NIST |
| IE | [9.65; 9.90] | eV |
|
| IE | 9.74 ± 0.04 | eV | NIST |
| IE | 9.72 | eV | NIST |
| IE | 9.89 ± 0.12 | eV | NIST |
| IE | 9.90 | eV | NIST |
| IE | 9.65 ± 0.02 | eV | NIST |
| IE | 9.72 ± 0.06 | eV | NIST |
| IE | 9.75 ± 0.01 | eV | NIST |
| IE | 9.77 ± 0.01 | eV | NIST |
| IE | 9.82 ± 0.05 | eV | NIST |
| IE | 9.82 | eV | NIST |
| log10WS | [-0.85; -0.85] |
|
|
| log10WS | -0.85 | Aq. Solubility Prediction | |
| log10WS | -0.85 | Estimated Solubility | |
| logPoct/wat | 1.375 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | [3500.00; 3971.94] | kPa |
|
| Pc | 3970.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Pc | 3971.94 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3500.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Pc | 3970.00 | kPa | KDB |
| Pc | 3970.00 ± 100.00 | kPa | NIST |
| Ptriple | 5.23e-05 | kPa | ChemSep v8.3 pure component data Compiled value |
| ρc | 274.76 ± 5.17 | kg/m3 | NIST |
| Inp | [650.00; 738.00] |
|
|
| Inp | 677.34 | NIST | |
| Inp | 673.91 | NIST | |
| Inp | 674.37 | NIST | |
| Inp | 675.18 | NIST | |
| Inp | 676.24 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 664.10 | NIST | |
| Inp | 673.50 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 699.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 690.90 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | Outlier 658.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | Outlier 657.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 678.10 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | Outlier 732.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 699.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | Outlier 650.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | Outlier 738.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | Outlier 732.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | Outlier 732.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 699.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 666.99 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 699.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | Outlier 732.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | Outlier 732.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | Outlier 727.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 699.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 679.00 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | Outlier 732.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 671.00 | NIST | |
| Inp | 675.00 | NIST | |
| Ip | [929.00; 1013.00] |
|
|
| Ip | 1013.00 | NIST | |
| Ip | 998.10 | NIST | |
| Ip | 1002.80 | NIST | |
| Ip | 1007.40 | NIST | |
| Ip | 979.00 | NIST | |
| Ip | 979.00 | NIST | |
| Ip | 974.00 | NIST | |
| Ip | 950.00 | NIST | |
| Ip | 951.00 | NIST | |
| Ip | 978.00 | NIST | |
| Ip | 974.00 | NIST | |
| Ip | 981.00 | NIST | |
| Ip | 984.00 | NIST | |
| Ip | 984.00 | NIST | |
| Ip | 984.00 | NIST | |
| Ip | 976.00 | NIST | |
| Ip | 984.00 | NIST | |
| Ip | 955.00 | NIST | |
| Ip | 950.00 | NIST | |
| Ip | 980.00 | NIST | |
| Ip | 1003.00 | NIST | |
| Ip | 999.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 971.00 | NIST | |
| Ip | 987.00 | NIST | |
| Ip | 984.00 | NIST | |
| Ip | 968.00 | NIST | |
| Ip | 968.00 | NIST | |
| Ip | 968.00 | NIST | |
| Ip | 978.00 | NIST | |
| Ip | 986.00 | NIST | |
| Ip | 1004.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 983.00 | NIST | |
| Ip | 977.00 | NIST | |
| Ip | 985.00 | NIST | |
| Ip | 983.00 | NIST | |
| Ip | 984.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 992.00 | NIST | |
| Ip | 972.00 | NIST | |
| Ip | 964.00 | NIST | |
| Ip | 985.00 | NIST | |
| Ip | 991.00 | NIST | |
| Ip | 971.00 | NIST | |
| Ip | 973.00 | NIST | |
| Ip | 1004.00 | NIST | |
| Ip | 1005.00 | NIST | |
| Ip | 1006.00 | NIST | |
| Ip | 989.00 | NIST | |
| Ip | 980.00 | NIST | |
| Ip | 977.00 | NIST | |
| Ip | Outlier 934.00 | NIST | |
| Ip | 953.00 | NIST | |
| Ip | 986.00 | NIST | |
| Ip | 979.00 | NIST | |
| Ip | Outlier 935.00 | NIST | |
| Ip | Outlier 929.00 | NIST | |
| Ip | 941.00 | NIST | |
| Ip | 984.00 | NIST | |
| Ip | 1004.00 | NIST | |
| Ip | 1011.00 | NIST | |
| Ip | Outlier 935.00 | NIST | |
| Ip | 991.00 | NIST | |
| Ip | Outlier 934.00 | NIST | |
| Ip | 981.00 | NIST | |
| Ip | 977.00 | NIST | |
| Ip | 979.00 | NIST | |
| Ip | 970.00 | NIST | |
| Ip | 953.00 | NIST | |
| Ip | 981.00 | NIST | |
| Ip | 974.00 | NIST | |
| Ip | 993.00 | NIST | |
| Ip | 971.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 983.00 | NIST | |
| Ip | 973.00 | NIST | |
| Ip | 967.00 | NIST | |
| Ip | 967.00 | NIST | |
| Ip | 960.00 | NIST | |
| Ip | 963.00 | NIST | |
| Ip | 1003.00 | NIST | |
| Ip | 960.00 | NIST | |
| Ip | 960.00 | NIST | |
| Ip | 1002.00 | NIST | |
| Ip | 975.00 | NIST | |
| Ip | 973.00 | NIST | |
| Ip | 979.00 | NIST | |
| Ip | 975.00 | NIST | |
| Ip | 975.00 | NIST | |
| Ip | 976.00 | NIST | |
| Ip | 951.00 | NIST | |
| Ip | 954.00 | NIST | |
| Ip | 970.00 | NIST | |
| Ip | 982.00 | NIST | |
| Ip | 1005.00 | NIST | |
| Ip | 988.00 | NIST | |
| Ip | Outlier 937.00 | NIST | |
| Ip | 976.00 | NIST | |
| Ip | 983.00 | NIST | |
| Ip | 977.00 | NIST | |
| Ip | 985.00 | NIST | |
| Ip | 972.00 | NIST | |
| Ip | 943.00 | NIST | |
| Ip | 983.00 | NIST | |
| Ip | 973.00 | NIST | |
| Ip | Outlier 932.00 | NIST | |
| Ip | 944.00 | NIST | |
| Ip | 993.00 | NIST | |
| Ip | 998.00 | NIST | |
| Ip | 967.00 | NIST | |
| Ip | 1002.00 | NIST | |
| Ip | Outlier 935.00 | NIST | |
| Ip | 988.00 | NIST | |
| Ip | 975.00 | NIST | |
| Ip | 948.00 | NIST | |
| Ip | 963.00 | NIST | |
| Ip | 967.00 | NIST | |
| Ip | 976.00 | NIST | |
| Ip | 973.00 | NIST | |
| Ip | 1002.00 | NIST | |
| Ip | 983.00 | NIST | |
| Ip | 982.00 | NIST | |
| S°gas | 379.90 ± 3.30 | J/mol×K | NIST |
| S°liquid | [273.59; 273.60] | J/mol×K |
|
| S°liquid | 273.59 | J/mol×K | NIST |
| S°liquid | 273.60 | J/mol×K | NIST |
| Tboil | [373.65; 376.90] | K |
|
| Tboil | 376.20 | K | Isobaric (vapor + liquid) equilibria of 1-ethyl-3-methylimidazolium ethylsulfate plus (propionaldehyde or valeraldehyde): Experimental data and prediction |
| Tboil | 376.15 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 376.00 | K | KDB |
| Tboil | 376.20 | K | NIST |
| Tboil | 375.83 ± 0.02 | K | NIST |
| Tboil | 376.15 | K | NIST |
| Tboil | 376.15 ± 2.00 | K | NIST |
| Tboil | 375.65 ± 2.00 | K | NIST |
| Tboil | 375.15 ± 2.00 | K | NIST |
| Tboil | 376.00 ± 4.00 | K | NIST |
| Tboil | 376.65 ± 1.50 | K | NIST |
| Tboil | 375.65 ± 2.00 | K | NIST |
| Tboil | 375.35 ± 1.50 | K | NIST |
| Tboil | Outlier 374.15 ± 3.00 | K | NIST |
| Tboil | 375.65 ± 3.00 | K | NIST |
| Tboil | 375.25 ± 2.00 | K | NIST |
| Tboil | Outlier 373.65 ± 3.00 | K | NIST |
| Tboil | 375.90 ± 2.00 | K | NIST |
| Tboil | 376.90 ± 1.00 | K | NIST |
| Tboil | 376.15 ± 2.00 | K | NIST |
| Tboil | 374.65 ± 3.00 | K | NIST |
| Tboil | 376.55 ± 3.00 | K | NIST |
| Tboil | 375.15 ± 3.00 | K | NIST |
| Tc | [554.00; 568.30] | K |
|
| Tc | 567.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 566.10 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | Outlier 554.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 566.10 | K | KDB |
| Tc | 568.30 ± 2.00 | K | NIST |
| Tc | 566.10 ± 0.80 | K | NIST |
| Tfus | [181.60; 191.59] | K |
|
| Tfus | 181.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 190.15 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 181.60 | K | KDB |
| Tfus | 181.65 | K | Aq. Solubility Prediction |
| Tfus | 191.59 | K | NIST |
| Tfus | 191.59 ± 0.10 | K | NIST |
| Tfus | 182.15 | K | NIST |
| Tfus | 189.80 ± 1.00 | K | NIST |
| Tfus | 189.80 ± 0.60 | K | NIST |
| Tfus | 181.70 ± 3.00 | K | NIST |
| Ttriple | 182.00 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 3.42 | ChemSep v8.3 pure component data Compiled value | |
| URi | 3.92 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.313; 0.316] | m3/kmol |
|
| Vc | 0.313 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Vc | 0.313 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.316 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Vc | 0.313 | m3/kmol | KDB |
| Zc | [0.2640000; 0.2640010] |
|
|
| Zc | 0.2640000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value | |
| Zc | 0.2640000 | ChemSep v8.3 pure component data Compiled value | |
| Zc | 0.2640010 | KDB | |
| Zra | 0.25 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [171.50; 174.39] | J/mol×K | [298.00; 298.15] |
|
| Cp,liquid | 171.50 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 174.39 | J/mol×K | 298.15 | NIST |
| ΔfusH | 15.00 | kJ/mol | 151.60 | NIST |
| ΔvapH | [33.64; 37.30] | kJ/mol | [341.00; 376.00] |
|
| ΔvapH | 37.30 | kJ/mol | 341.00 | NIST |
| ΔvapH | 33.64 | kJ/mol | 376.00 | KDB |
| Pvap | 101.30 | kPa | 376.20 | Isobaric (vapor + liquid) equilibria of 1-ethyl-3-methylimidazolium ethylsulfate plus (propionaldehyde or valeraldehyde): Experimental data and prediction |
| ρl | 810.00 | kg/m3 | 293.00 | KDB |
| γ | 0.03 | N/m | 293.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.20; 324.81] | J/mol×K | [200.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.01560e+02 | |||
| Coefficient B | -9.29740e+02 | |||
| Coefficient C | 6.48324e+00 | |||
| Coefficient D | -5.52500e-04 | |||
| Coefficient E | 1.66060e-07 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 107.20 | J/mol×K | 200.00 | Calculated Property |
| Cp,gas | 138.65 | J/mol×K | 344.44 | Calculated Property |
| Cp,gas | 179.12 | J/mol×K | 488.89 | Calculated Property |
| Cp,gas | 215.07 | J/mol×K | 633.33 | Calculated Property |
| Cp,gas | 243.95 | J/mol×K | 777.78 | Calculated Property |
| Cp,gas | 266.70 | J/mol×K | 922.22 | Calculated Property |
| Cp,gas | 284.88 | J/mol×K | 1066.67 | Calculated Property |
| Cp,gas | 299.90 | J/mol×K | 1211.11 | Calculated Property |
| Cp,gas | 312.92 | J/mol×K | 1355.56 | Calculated Property |
| Cp,gas | 324.81 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [167.27; 220.46] | J/mol×K | [200.00; 424.57] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.56770e+02 | |||
| Coefficient B | 1.99890e+02 | |||
| Coefficient C | -2.65066e+00 | |||
| Coefficient D | 2.45470e-02 | |||
| Coefficient E | -2.26790e-05 | |||
| Temperature range, min. | 200.00 | |||
| Temperature range, max. | 424.57 | |||
| Cp,liquid | 167.27 | J/mol×K | 200.00 | Calculated Property |
| Cp,liquid | 170.40 | J/mol×K | 224.95 | Calculated Property |
| Cp,liquid | 174.36 | J/mol×K | 249.90 | Calculated Property |
| Cp,liquid | 179.20 | J/mol×K | 274.86 | Calculated Property |
| Cp,liquid | 184.90 | J/mol×K | 299.81 | Calculated Property |
| Cp,liquid | 191.40 | J/mol×K | 324.76 | Calculated Property |
| Cp,liquid | 198.52 | J/mol×K | 349.71 | Calculated Property |
| Cp,liquid | 205.99 | J/mol×K | 374.67 | Calculated Property |
| Cp,liquid | 213.44 | J/mol×K | 399.62 | Calculated Property |
| Cp,liquid | 220.46 | J/mol×K | 424.57 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041291; 0.0001666] | Pa×s | [182.00; 450.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08840e+01 | |||
| Coefficient B | 9.82070e+02 | |||
| Coefficient C | -4.69890e-04 | |||
| Coefficient D | 2.27670e-08 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 182.00 | |||
| Temperature range, max. | 450.00 | |||
| η | 0.0041291 | Pa×s | 182.00 | Calculated Property |
| η | 0.0019339 | Pa×s | 211.78 | Calculated Property |
| η | 0.0010921 | Pa×s | 241.56 | Calculated Property |
| η | 0.0006992 | Pa×s | 271.33 | Calculated Property |
| η | 0.0004890 | Pa×s | 301.11 | Calculated Property |
| η | 0.0003648 | Pa×s | 330.89 | Calculated Property |
| η | 0.0002856 | Pa×s | 360.67 | Calculated Property |
| η | 0.0002322 | Pa×s | 390.44 | Calculated Property |
| η | 0.0001944 | Pa×s | 420.22 | Calculated Property |
| η | 0.0001666 | Pa×s | 450.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [48.55; 11.63] | kJ/mol | [182.00; 545.88] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 6.99504e+01 | |||
| Coefficient B | 9.91037e-01 | |||
| Coefficient C | 2.52443e-01 | |||
| Coefficient D | -1.76171e+00 | |||
| Coefficient E | 9.36026e-01 | |||
| Critical temperature, Tc (K) | 5.54000e+02 | |||
| Temperature range, min. | 182.00 | |||
| Temperature range, max. | 545.88 | |||
| ΔvapH | 48.55 | kJ/mol | 182.00 | Calculated Property |
| ΔvapH | 44.78 | kJ/mol | 222.43 | Calculated Property |
| ΔvapH | 41.43 | kJ/mol | 262.86 | Calculated Property |
| ΔvapH | 38.45 | kJ/mol | 303.29 | Calculated Property |
| ΔvapH | 35.74 | kJ/mol | 343.72 | Calculated Property |
| ΔvapH | 33.17 | kJ/mol | 384.16 | Calculated Property |
| ΔvapH | 30.49 | kJ/mol | 424.59 | Calculated Property |
| ΔvapH | 27.26 | kJ/mol | 465.02 | Calculated Property |
| ΔvapH | 22.51 | kJ/mol | 505.45 | Calculated Property |
| ΔvapH | 11.63 | kJ/mol | 545.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [277.13; 400.24] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47593e+01 | |||
| Coefficient B | -3.35057e+03 | |||
| Coefficient C | -4.56010e+01 | |||
| Temperature range, min. | 277.13 | |||
| Temperature range, max. | 400.24 | |||
| Pvap | 1.33 | kPa | 277.13 | Calculated Property |
| Pvap | 2.99 | kPa | 290.81 | Calculated Property |
| Pvap | 6.15 | kPa | 304.49 | Calculated Property |
| Pvap | 11.78 | kPa | 318.17 | Calculated Property |
| Pvap | 21.20 | kPa | 331.85 | Calculated Property |
| Pvap | 36.16 | kPa | 345.52 | Calculated Property |
| Pvap | 58.86 | kPa | 359.20 | Calculated Property |
| Pvap | 92.00 | kPa | 372.88 | Calculated Property |
| Pvap | 138.72 | kPa | 386.56 | Calculated Property |
| Pvap | 202.65 | kPa | 400.24 | Calculated Property |
| Pvap | [6.87e-05; 3206.40] | kPa | [182.00; 554.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.57284e+01 | |||
| Coefficient B | -7.42850e+03 | |||
| Coefficient C | -1.05180e+01 | |||
| Coefficient D | 7.16011e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 566.1 K. | |||
| Temperature range, min. | 182.00 | |||
| Temperature range, max. | 554.00 | |||
| Pvap | 6.87e-05 | kPa | 182.00 | Calculated Property |
| Pvap | 0.02 | kPa | 223.33 | Calculated Property |
| Pvap | 0.60 | kPa | 264.67 | Calculated Property |
| Pvap | 6.83 | kPa | 306.00 | Calculated Property |
| Pvap | 39.31 | kPa | 347.33 | Calculated Property |
| Pvap | 145.63 | kPa | 388.67 | Calculated Property |
| Pvap | 402.45 | kPa | 430.00 | Calculated Property |
| Pvap | 910.46 | kPa | 471.33 | Calculated Property |
| Pvap | 1793.10 | kPa | 512.67 | Calculated Property |
| Pvap | 3206.40 | kPa | 554.00 | Calculated Property |
| Pvap | [5.58e-05; 3498.61] | kPa | [182.00; 554.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.03053e+02 | |||
| Coefficient B | -8.05774e+03 | |||
| Coefficient C | -1.32459e+01 | |||
| Coefficient D | 1.08452e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 182.00 | |||
| Temperature range, max. | 554.00 | |||
| Pvap | 5.58e-05 | kPa | 182.00 | Calculated Property |
| Pvap | 0.02 | kPa | 223.33 | Calculated Property |
| Pvap | 0.59 | kPa | 264.67 | Calculated Property |
| Pvap | 6.83 | kPa | 306.00 | Calculated Property |
| Pvap | 39.25 | kPa | 347.33 | Calculated Property |
| Pvap | 145.13 | kPa | 388.67 | Calculated Property |
| Pvap | 402.94 | kPa | 430.00 | Calculated Property |
| Pvap | 925.58 | kPa | 471.33 | Calculated Property |
| Pvap | 1875.04 | kPa | 512.67 | Calculated Property |
| Pvap | 3498.61 | kPa | 554.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [906.26; 420.26] | kg/m3 | [182.00; 554.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 6.56561e+01 | |||
| Coefficient B | 2.50720e-01 | |||
| Coefficient C | 5.66110e+02 | |||
| Coefficient D | 2.79120e-01 | |||
| Comment | Range stopped at Tc; ChemSep gives it to 566.1 K. | |||
| Temperature range, min. | 182.00 | |||
| Temperature range, max. | 554.00 | |||
| ρl | 906.26 | kg/m3 | 182.00 | Calculated Property |
| ρl | 871.74 | kg/m3 | 223.33 | Calculated Property |
| ρl | 835.58 | kg/m3 | 264.67 | Calculated Property |
| ρl | 797.38 | kg/m3 | 306.00 | Calculated Property |
| ρl | 756.59 | kg/m3 | 347.33 | Calculated Property |
| ρl | 712.36 | kg/m3 | 388.67 | Calculated Property |
| ρl | 663.28 | kg/m3 | 430.00 | Calculated Property |
| ρl | 606.61 | kg/m3 | 471.33 | Calculated Property |
| ρl | 535.79 | kg/m3 | 512.67 | Calculated Property |
| ρl | 420.26 | kg/m3 | 554.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [181.15; 376.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 5.55481e-02 | |||
| Coefficient B | -1.01000e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 181.15 | |||
| Temperature range, max. | 376.15 | |||
| γ | 0.04 | N/m | 181.15 | Calculated Property |
| γ | 0.04 | N/m | 202.82 | Calculated Property |
| γ | 0.03 | N/m | 224.48 | Calculated Property |
| γ | 0.03 | N/m | 246.15 | Calculated Property |
| γ | 0.03 | N/m | 267.82 | Calculated Property |
| γ | 0.03 | N/m | 289.48 | Calculated Property |
| γ | 0.02 | N/m | 311.15 | Calculated Property |
| γ | 0.02 | N/m | 332.82 | Calculated Property |
| γ | 0.02 | N/m | 354.48 | Calculated Property |
| γ | 0.02 | N/m | 376.15 | Calculated Property |
| γ | [0.04; 2.37e-04] | N/m | [182.00; 545.88] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -5.87350e-03 | |||
| Coefficient B | 2.02770e+02 | |||
| Coefficient C | -5.19280e+00 | |||
| Coefficient D | 8.31520e-03 | |||
| Coefficient E | -1.61600e-05 | |||
| Temperature range, min. | 182.00 | |||
| Temperature range, max. | 545.88 | |||
| γ | 0.04 | N/m | 182.00 | Calculated Property |
| γ | 0.03 | N/m | 222.43 | Calculated Property |
| γ | 0.03 | N/m | 262.86 | Calculated Property |
| γ | 0.02 | N/m | 303.29 | Calculated Property |
| γ | 0.02 | N/m | 343.72 | Calculated Property |
| γ | 0.02 | N/m | 384.16 | Calculated Property |
| γ | 0.01 | N/m | 424.59 | Calculated Property |
| γ | 0.01 | N/m | 465.02 | Calculated Property |
| γ | 0.00 | N/m | 505.45 | Calculated Property |
| γ | 2.37e-04 | N/m | 545.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.00; 0.12] | W/m×K | [182.00; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | -3.90100e+06 | |||
| Coefficient B | -5.46100e-02 | |||
| Coefficient C | 1.65510e+09 | |||
| Coefficient D | -2.43570e+13 | |||
| Temperature range, min. | 182.00 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.00 | W/m×K | 182.00 | Calculated Property |
| λgas | 0.01 | W/m×K | 272.89 | Calculated Property |
| λgas | 0.02 | W/m×K | 363.78 | Calculated Property |
| λgas | 0.02 | W/m×K | 454.67 | Calculated Property |
| λgas | 0.04 | W/m×K | 545.56 | Calculated Property |
| λgas | 0.05 | W/m×K | 636.44 | Calculated Property |
| λgas | 0.06 | W/m×K | 727.33 | Calculated Property |
| λgas | 0.08 | W/m×K | 818.22 | Calculated Property |
| λgas | 0.10 | W/m×K | 909.11 | Calculated Property |
| λgas | 0.12 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.17; 0.09] | W/m×K | [182.00; 513.15] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | 1.09650e-02 | |||
| Coefficient B | -2.82390e-01 | |||
| Coefficient C | -1.55850e+00 | |||
| Coefficient D | -1.28560e-03 | |||
| Coefficient E | -1.32210e-06 | |||
| Temperature range, min. | 182.00 | |||
| Temperature range, max. | 513.15 | |||
| λliquid | 0.17 | W/m×K | 182.00 | Calculated Property |
| λliquid | 0.16 | W/m×K | 218.79 | Calculated Property |
| λliquid | 0.15 | W/m×K | 255.59 | Calculated Property |
| λliquid | 0.14 | W/m×K | 292.38 | Calculated Property |
| λliquid | 0.13 | W/m×K | 329.18 | Calculated Property |
| λliquid | 0.12 | W/m×K | 365.97 | Calculated Property |
| λliquid | 0.11 | W/m×K | 402.77 | Calculated Property |
| λliquid | 0.10 | W/m×K | 439.56 | Calculated Property |
| λliquid | 0.10 | W/m×K | 476.36 | Calculated Property |
| λliquid | 0.09 | W/m×K | 513.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanal.
Mixtures
Sources
- KDB Vapor Pressure Data
- 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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Measurement of activity coefficient at infinite dilution for some bio-oil components in water and mass transfer study of bubbles in the dilutor.
- Thermodynamics of solvation of some linear and branched aliphatic aldehydes in water and heptane
- Isobaric (vapor + liquid) equilibria of 1-ethyl-3-methylimidazolium ethylsulfate plus (propionaldehyde or valeraldehyde): Experimental data and prediction
- Measurement of activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-hexyl-1,4-diaza[2.2.2]bicyclooctanium bis(trifluoromethylsulfonyl)imide using gas-liquid chromatography
- Liquid-Liquid Extraction of Biobased Isobutanol from an Aqueous Solution
- Thermodynamic Properties of Mixtures Containing Ionic Liquids. 8. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography
- Thermodynamic Properties of Mixtures Containing Ionic Liquids. 9. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in Trimethyl-butylammonium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography and Static Method
- Experimental Study of Thermodynamic Properties of Mixtures Containing Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate Using Gas-Liquid Chromatography and Transpiration Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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