- InChI
- InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3
- InChI Key
- DTCCTIQRPGSLPT-UHFFFAOYSA-N
- Formula
- C5H8O
- SMILES
- CCC=CC=O
- Molecular Weight1
- 84.12
- CAS
- 764-39-6
- Other Names
-
- Pent-2-enal
- 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° | -28.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.40 | kJ/mol | Joback Calculated Property |
| IE | 9.70 | eV | NIST |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 1.151 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Inp | [674.28; 738.00] |
|
|
| Inp | 675.36 | NIST | |
| Inp | 674.28 | NIST | |
| Inp | 674.91 | NIST | |
| Inp | 675.32 | NIST | |
| Inp | 675.72 | NIST | |
| Inp | 676.77 | NIST | |
| Inp | 677.72 | NIST | |
| Inp | 678.55 | NIST | |
| Inp | 678.68 | NIST | |
| Inp | 680.44 | NIST | |
| Inp | 682.23 | NIST | |
| Inp | 686.31 | NIST | |
| Inp | 700.44 | NIST | |
| Inp | 698.24 | NIST | |
| Inp | 699.75 | NIST | |
| Inp | 700.64 | NIST | |
| Inp | 701.70 | NIST | |
| Inp | 702.48 | NIST | |
| Inp | 704.71 | NIST | |
| Inp | 705.68 | NIST | |
| Inp | 707.08 | NIST | |
| Inp | 710.42 | NIST | |
| Inp | 713.43 | NIST | |
| Inp | 717.73 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 726.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 723.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 675.36 | NIST | |
| Inp | 676.77 | NIST | |
| Inp | 682.23 | NIST | |
| Inp | 700.64 | NIST | |
| Inp | 707.08 | NIST | |
| Inp | 725.00 | NIST | |
| I | [1043.00; 1087.98] |
|
|
| I | 1043.68 | NIST | |
| I | 1064.46 | NIST | |
| I | 1078.94 | NIST | |
| I | 1087.98 | NIST | |
| I | 1073.00 | NIST | |
| I | 1073.00 | NIST | |
| I | 1043.00 | NIST | |
| Tboil | 397.00 ± 3.00 | K | NIST |
| Tc | 548.86 | K | Joback Calculated Property |
| Tfus | 183.03 | K | Joback Calculated Property |
| Vc | 0.312 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.02; 172.92] | J/mol×K | [366.62; 548.86] |
|
| Cp,gas | 130.02 | J/mol×K | 366.62 | Joback Calculated Property |
| Cp,gas | 138.10 | J/mol×K | 396.99 | Joback Calculated Property |
| Cp,gas | 145.79 | J/mol×K | 427.37 | Joback Calculated Property |
| Cp,gas | 153.10 | J/mol×K | 457.74 | Joback Calculated Property |
| Cp,gas | 160.05 | J/mol×K | 488.11 | Joback Calculated Property |
| Cp,gas | 166.65 | J/mol×K | 518.49 | Joback Calculated Property |
| Cp,gas | 172.92 | J/mol×K | 548.86 | Joback Calculated Property |
| η | [0.0002502; 0.0033669] | Pa×s | [183.03; 366.62] |
|
| η | 0.0033669 | Pa×s | 183.03 | Joback Calculated Property |
| η | 0.0016007 | Pa×s | 213.63 | Joback Calculated Property |
| η | 0.0009169 | Pa×s | 244.23 | Joback Calculated Property |
| η | 0.0005946 | Pa×s | 274.82 | Joback Calculated Property |
| η | 0.0004205 | Pa×s | 305.42 | Joback Calculated Property |
| η | 0.0003168 | Pa×s | 336.02 | Joback Calculated Property |
| η | 0.0002502 | Pa×s | 366.62 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [294.72; 421.93] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49143e+01 | |||
| Coefficient B | -3.55666e+03 | |||
| Coefficient C | -5.15580e+01 | |||
| Temperature range, min. | 294.72 | |||
| Temperature range, max. | 421.93 | |||
| Pvap | 1.33 | kPa | 294.72 | Calculated Property |
| Pvap | 2.98 | kPa | 308.85 | Calculated Property |
| Pvap | 6.12 | kPa | 322.99 | Calculated Property |
| Pvap | 11.70 | kPa | 337.12 | Calculated Property |
| Pvap | 21.05 | kPa | 351.26 | Calculated Property |
| Pvap | 35.92 | kPa | 365.39 | Calculated Property |
| Pvap | 58.54 | kPa | 379.53 | Calculated Property |
| Pvap | 91.64 | kPa | 393.66 | Calculated Property |
| Pvap | 138.43 | kPa | 407.80 | Calculated Property |
| Pvap | 202.62 | kPa | 421.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentenal.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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