- InChI
- InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+
- InChI Key
- GJYMQFMQRRNLCY-ONEGZZNKSA-N
- Formula
- C5H10O
- SMILES
- CC=CC(C)O
- Molecular Weight1
- 86.13
- CAS
- 3899-34-1
- Other Names
-
- 3-Penten-2-ol, (3E)-
- pent-3-en-2-ol
- (E)-2-penten-4-ol
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4966 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.943 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| I | 1170.00 | NIST | |
| Tboil | 391.85 | K | Relay (1.0) Calculated Property |
| Tc | 545.45 | K | Relay (1.0) Calculated Property |
| Tfus | 220.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.306 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l 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 | [109.73; 265.91] | 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 | -1.22300e+01 | |||
| Coefficient B | 5.38740e-01 | |||
| Coefficient C | -3.65600e-04 | |||
| Coefficient D | 1.05000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 182.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 201.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 217.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 231.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 244.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 255.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 265.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3400407; 0.0002293] | Pa×s | [186.85; 408.41] |
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 | -1.45381e+01 | |||
| Coefficient B | 2.51489e+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. | 186.85 | |||
| Temperature range, max. | 408.41 | |||
| η | 0.3400407 | Pa×s | 186.85 | Calculated Property |
| η | 0.0709684 | Pa×s | 211.47 | Calculated Property |
| η | 0.0205356 | Pa×s | 236.08 | Calculated Property |
| η | 0.0075103 | Pa×s | 260.70 | Calculated Property |
| η | 0.0032673 | Pa×s | 285.32 | Calculated Property |
| η | 0.0016224 | Pa×s | 309.94 | Calculated Property |
| η | 0.0008930 | Pa×s | 334.55 | Calculated Property |
| η | 0.0005334 | Pa×s | 359.17 | Calculated Property |
| η | 0.0003404 | Pa×s | 383.79 | Calculated Property |
| η | 0.0002293 | Pa×s | 408.41 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Penten-2-ol.
Sources
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