- InChI
- InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
- InChI Key
- LABTWGUMFABVFG-ONEGZZNKSA-N
- Formula
- C5H8O
- SMILES
- CC=CC(C)=O
- Molecular Weight1
- 84.12
- CAS
- 3102-33-8
- Other Names
-
- (E)-3-Penten-2-one
- (E)-CH3C(O)CH=CHCH3
- trans-3-Penten-2-One
- 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).
- 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° | -57.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.43 | kJ/mol | Joback Calculated Property |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 1.151 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Inp | [712.00; 735.00] |
|
|
| Inp | 735.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 714.00 | NIST | |
| I | [1095.00; 1134.00] |
|
|
| I | 1108.00 | NIST | |
| I | 1121.00 | NIST | |
| I | 1122.00 | NIST | |
| I | 1123.00 | NIST | |
| I | 1123.00 | NIST | |
| I | 1095.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1104.00 | NIST | |
| I | 1134.00 | NIST | |
| I | 1123.00 | NIST | |
| I | 1123.00 | NIST | |
| I | 1108.00 | NIST | |
| I | 1134.00 | NIST | |
| I | 1095.00 | NIST | |
| Tboil | 371.83 | K | Joback Calculated Property |
| Tc | 559.72 | K | Joback Calculated Property |
| Tfus | 218.60 ± 0.60 | K | NIST |
| Vc | 0.301 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.73; 172.10] | J/mol×K | [371.83; 559.72] |
|
| Cp,gas | 127.73 | J/mol×K | 371.83 | Joback Calculated Property |
| Cp,gas | 136.10 | J/mol×K | 403.14 | Joback Calculated Property |
| Cp,gas | 144.05 | J/mol×K | 434.46 | Joback Calculated Property |
| Cp,gas | 151.61 | J/mol×K | 465.77 | Joback Calculated Property |
| Cp,gas | 158.80 | J/mol×K | 497.09 | Joback Calculated Property |
| Cp,gas | 165.62 | J/mol×K | 528.40 | Joback Calculated Property |
| Cp,gas | 172.10 | J/mol×K | 559.72 | Joback Calculated Property |
| η | [0.0002382; 0.0030707] | Pa×s | [190.96; 371.83] |
|
| η | 0.0030707 | Pa×s | 190.96 | Joback Calculated Property |
| η | 0.0014998 | Pa×s | 221.11 | Joback Calculated Property |
| η | 0.0008700 | Pa×s | 251.25 | Joback Calculated Property |
| η | 0.0005671 | Pa×s | 281.39 | Joback Calculated Property |
| η | 0.0004016 | Pa×s | 311.54 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 341.68 | Joback Calculated Property |
| η | 0.0002382 | Pa×s | 371.83 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [291.12; 404.11] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59879e+01 | |||
| Coefficient B | -3.76994e+03 | |||
| Coefficient C | -5.10020e+01 | |||
| Temperature range, min. | 291.12 | |||
| Temperature range, max. | 404.11 | |||
| Pvap | 1.33 | kPa | 291.12 | Calculated Property |
| Pvap | 2.91 | kPa | 303.67 | Calculated Property |
| Pvap | 5.89 | kPa | 316.23 | Calculated Property |
| Pvap | 11.20 | kPa | 328.78 | Calculated Property |
| Pvap | 20.15 | kPa | 341.34 | Calculated Property |
| Pvap | 34.51 | kPa | 353.89 | Calculated Property |
| Pvap | 56.64 | kPa | 366.45 | Calculated Property |
| Pvap | 89.50 | kPa | 379.00 | Calculated Property |
| Pvap | 136.72 | kPa | 391.56 | Calculated Property |
| Pvap | 202.65 | kPa | 404.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-2-one, (E)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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