- InChI
- InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3
- InChI Key
- WCASXYBKJHWFMY-UHFFFAOYSA-N
- Formula
- C4H8O
- SMILES
- CC=CCO
- Molecular Weight1
- 72.11
- CAS
- 6117-91-5
- Other Names
-
- 1-Hydroxy-2-butene
- 2-Butene-1-ol
- 2-Butenol
- 2-Butenyl alcohol
- 2-buten-1-ol (crotyl alcohol)
- 3-Methylallyl alcohol
- CH3CH=CHCH2OH
- Crotonyl alcohol
- Crotyl alcohol
- Krotylalkohol
- NSC 17480
- but-2-en-1-ol
- 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° | -73.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.14 | kJ/mol | Joback Calculated Property |
| IE | 9.13 | eV | NIST |
| log10WS | -0.61 | Crippen Calculated Property | |
| logPoct/wat | 0.555 | Crippen Calculated Property | |
| McVol | 68.790 | ml/mol | McGowan Calculated Property |
| Pc | 4704.19 | kPa | Joback Calculated Property |
| Inp | [625.00; 664.00] |
|
|
| Inp | 628.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 650.00 | NIST | |
| I | [1193.00; 1193.00] |
|
|
| I | 1193.00 | NIST | |
| I | 1193.00 | NIST | |
| Tboil | 394.70 | K | NIST |
| Tc | 557.54 | K | Joback Calculated Property |
| Tfus | 190.58 | K | Joback Calculated Property |
| Vc | 0.259 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [119.16; 154.94] | J/mol×K | [387.26; 557.54] |
|
| Cp,gas | 119.16 | J/mol×K | 387.26 | Joback Calculated Property |
| Cp,gas | 125.85 | J/mol×K | 415.64 | Joback Calculated Property |
| Cp,gas | 132.23 | J/mol×K | 444.02 | Joback Calculated Property |
| Cp,gas | 138.32 | J/mol×K | 472.40 | Joback Calculated Property |
| Cp,gas | 144.13 | J/mol×K | 500.78 | Joback Calculated Property |
| Cp,gas | 149.66 | J/mol×K | 529.16 | Joback Calculated Property |
| Cp,gas | 154.94 | J/mol×K | 557.54 | Joback Calculated Property |
| η | [0.0002666; 0.1526839] | Pa×s | [190.58; 387.26] |
|
| η | 0.1526839 | Pa×s | 190.58 | Joback Calculated Property |
| η | 0.0243706 | Pa×s | 223.36 | Joback Calculated Property |
| η | 0.0062218 | Pa×s | 256.14 | Joback Calculated Property |
| η | 0.0021653 | Pa×s | 288.92 | Joback Calculated Property |
| η | 0.0009344 | Pa×s | 321.70 | Joback Calculated Property |
| η | 0.0004710 | Pa×s | 354.48 | Joback Calculated Property |
| η | 0.0002666 | Pa×s | 387.26 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [299.32; 417.21] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58995e+01 | |||
| Coefficient B | -3.87890e+03 | |||
| Coefficient C | -5.08630e+01 | |||
| Temperature range, min. | 299.32 | |||
| Temperature range, max. | 417.21 | |||
| Pvap | 1.33 | kPa | 299.32 | Calculated Property |
| Pvap | 2.91 | kPa | 312.42 | Calculated Property |
| Pvap | 5.91 | kPa | 325.52 | Calculated Property |
| Pvap | 11.24 | kPa | 338.62 | Calculated Property |
| Pvap | 20.22 | kPa | 351.72 | Calculated Property |
| Pvap | 34.62 | kPa | 364.81 | Calculated Property |
| Pvap | 56.79 | kPa | 377.91 | Calculated Property |
| Pvap | 89.66 | kPa | 391.01 | Calculated Property |
| Pvap | 136.85 | kPa | 404.11 | Calculated Property |
| Pvap | 202.65 | kPa | 417.21 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Buten-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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