- InChI
- InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3
- InChI Key
- GJYMQFMQRRNLCY-UHFFFAOYSA-N
- Formula
- C5H10O
- SMILES
- CC=CC(C)O
- Molecular Weight1
- 86.13
- CAS
- 1569-50-2
- Other Names
-
- 3-Penten-2-ol,cis+trans
- 3-Pentene-2-ol
- Methyl propenyl carbinol
- Pent-3-en-2-ol
- «alpha»,«gamma»-Dimethylallyl alcohol
- 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).
- 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 |
|---|---|---|---|
| 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 | 9.56 | eV | NIST |
| logPoct/wat | 0.943 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| Inp | [774.00; 774.00] |
|
|
| Inp | 774.00 | NIST | |
| Inp | 774.00 | NIST | |
| Inp | 774.00 | NIST | |
| I | [1150.00; 1183.00] |
|
|
| I | 1181.00 | NIST | |
| I | 1174.00 | NIST | |
| I | 1170.00 | NIST | |
| I | 1170.00 | NIST | |
| I | 1172.00 | NIST | |
| I | 1177.00 | NIST | |
| I | 1163.00 | NIST | |
| I | 1177.00 | NIST | |
| I | 1181.00 | NIST | |
| I | Outlier 1152.00 | NIST | |
| I | Outlier 1150.00 | NIST | |
| I | 1182.00 | NIST | |
| I | 1181.00 | NIST | |
| I | 1181.00 | NIST | |
| I | 1183.00 | NIST | |
| I | 1181.00 | NIST | |
| I | 1182.00 | NIST | |
| I | 1174.00 | NIST | |
| I | 1170.00 | NIST | |
| I | 1177.00 | NIST | |
| Tboil | [393.20; 395.80] | K |
|
| Tboil | 393.20 | K | NIST |
| Tboil | 395.80 ± 4.00 | K | NIST |
| 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.40; 198.49] | J/mol×K | [409.90; 583.44] |
|
| Cp,gas | 154.40 | J/mol×K | 409.90 | Joback Calculated Property |
| Cp,gas | 162.65 | J/mol×K | 438.82 | Joback Calculated Property |
| Cp,gas | 170.52 | J/mol×K | 467.75 | Joback Calculated Property |
| Cp,gas | 178.02 | J/mol×K | 496.67 | Joback Calculated Property |
| Cp,gas | 185.18 | J/mol×K | 525.59 | Joback Calculated Property |
| Cp,gas | 191.99 | J/mol×K | 554.51 | Joback Calculated Property |
| Cp,gas | 198.49 | J/mol×K | 583.44 | Joback Calculated Property |
| η | [0.0002243; 0.3400407] | Pa×s | [186.85; 409.90] |
|
| η | 0.3400407 | Pa×s | 186.85 | Joback Calculated Property |
| η | 0.0364373 | Pa×s | 224.03 | Joback Calculated Property |
| η | 0.0073734 | Pa×s | 261.20 | Joback Calculated Property |
| η | 0.0022217 | Pa×s | 298.38 | Joback Calculated Property |
| η | 0.0008733 | Pa×s | 335.55 | Joback Calculated Property |
| η | 0.0004135 | Pa×s | 372.72 | Joback Calculated Property |
| η | 0.0002243 | Pa×s | 409.90 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [298.52; 415.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59654e+01 | |||
| Coefficient B | -3.88927e+03 | |||
| Coefficient C | -5.04460e+01 | |||
| Temperature range, min. | 298.52 | |||
| Temperature range, max. | 415.50 | |||
| Pvap | 1.33 | kPa | 298.52 | Calculated Property |
| Pvap | 2.91 | kPa | 311.52 | Calculated Property |
| Pvap | 5.90 | kPa | 324.52 | Calculated Property |
| Pvap | 11.21 | kPa | 337.51 | Calculated Property |
| Pvap | 20.17 | kPa | 350.51 | Calculated Property |
| Pvap | 34.54 | kPa | 363.51 | Calculated Property |
| Pvap | 56.68 | kPa | 376.51 | Calculated Property |
| Pvap | 89.54 | kPa | 389.50 | Calculated Property |
| Pvap | 136.75 | kPa | 402.50 | Calculated Property |
| Pvap | 202.65 | kPa | 415.50 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Penten-2-ol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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