- InChI
- InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3+
- InChI Key
- PPXGQLMPUIVFRE-ONEGZZNKSA-N
- Formula
- C5H6O
- SMILES
- C=CC=CC=O
- Molecular Weight1
- 82.10
- CAS
- 764-40-9
- 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).
- 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° | 59.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 10.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.73 | kJ/mol | Joback Calculated Property |
| log10WS | -0.90 | Crippen Calculated Property | |
| logPoct/wat | 0.927 | Crippen Calculated Property | |
| McVol | 74.280 | ml/mol | McGowan Calculated Property |
| Pc | 4271.86 | kPa | Joback Calculated Property |
| I | [1197.00; 1197.00] |
|
|
| I | 1197.00 | NIST | |
| I | 1197.00 | NIST | |
| Tboil | 363.30 | K | Joback Calculated Property |
| Tc | 549.54 | K | Joback Calculated Property |
| Tfus | 181.27 | K | Joback Calculated Property |
| Vc | 0.293 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.66; 155.03] | J/mol×K | [363.30; 549.54] |
|
| Cp,gas | 116.66 | J/mol×K | 363.30 | Joback Calculated Property |
| Cp,gas | 124.03 | J/mol×K | 394.34 | Joback Calculated Property |
| Cp,gas | 130.99 | J/mol×K | 425.38 | Joback Calculated Property |
| Cp,gas | 137.55 | J/mol×K | 456.42 | Joback Calculated Property |
| Cp,gas | 143.73 | J/mol×K | 487.46 | Joback Calculated Property |
| Cp,gas | 149.55 | J/mol×K | 518.50 | Joback Calculated Property |
| Cp,gas | 155.03 | J/mol×K | 549.54 | Joback Calculated Property |
| η | [0.0002397; 0.0027667] | Pa×s | [181.27; 363.30] |
|
| η | 0.0027667 | Pa×s | 181.27 | Joback Calculated Property |
| η | 0.0013740 | Pa×s | 211.61 | Joback Calculated Property |
| η | 0.0008133 | Pa×s | 241.95 | Joback Calculated Property |
| η | 0.0005411 | Pa×s | 272.28 | Joback Calculated Property |
| η | 0.0003906 | Pa×s | 302.62 | Joback Calculated Property |
| η | 0.0002993 | Pa×s | 332.96 | Joback Calculated Property |
| η | 0.0002397 | Pa×s | 363.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-pentadienal.
Sources
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