- InChI
- InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
- InChI Key
- BYDRTKVGBRTTIT-UHFFFAOYSA-N
- Formula
- C4H8O
- SMILES
- C=C(C)CO
- Molecular Weight1
- 72.11
- CAS
- 513-42-8
- Other Names
-
- 2-Methallyl alcohol
- 2-Methyl-2-propen-1-ol
- 2-Methyl-2-propene-1-ol
- 2-Methyl-2-propenol
- 2-Methylallyl alcohol
- 2-Methylprop-2-en-1-ol
- 3-Hydroxy-2-methylpropene
- CH2=C(CH3)CH2OH
- Isopropenyl carbinol
- Methacryl alcohol
- Methallyl alcohol
- NSC 30674
- UN 2614
- «beta»-Methallyl alcohol
- «beta»-Methylallyl alcohol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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 | 0.5294 | Relay (1.0) Calculated Property | |
| ΔfG° | -74.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.90 | kJ/mol | NIST |
| IE | [9.24; 9.28] | eV |
|
| IE | 9.24 | eV | NIST |
| IE | 9.28 ± 0.05 | eV | NIST |
| log10WS | -0.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.555 | Crippen Calculated Property | |
| McVol | 68.790 | ml/mol | McGowan Calculated Property |
| Pc | 4672.09 | kPa | Joback Calculated Property |
| Inp | [605.00; 633.00] |
|
|
| Inp | 605.00 | NIST | |
| Inp | 607.00 | NIST | |
| Inp | 633.00 | NIST | |
| Tboil | 387.70 | K | NIST |
| Tc | 561.17 | K | Relay (1.0) Calculated Property |
| Tfus | 218.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.243 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [93.18; 215.58] | 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 | 1.86100e+00 | |||
| Coefficient B | 3.97720e-01 | |||
| Coefficient C | -2.49400e-04 | |||
| Coefficient D | 6.54000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 93.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 132.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 149.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 164.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 177.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 188.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 198.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 207.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 215.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [293.46; 409.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58560e+01 | |||
| Coefficient B | -3.80711e+03 | |||
| Coefficient C | -4.89170e+01 | |||
| Temperature range, min. | 293.46 | |||
| Temperature range, max. | 409.97 | |||
| Pvap | 1.33 | kPa | 293.46 | Calculated Property |
| Pvap | 2.92 | kPa | 306.41 | Calculated Property |
| Pvap | 5.92 | kPa | 319.35 | Calculated Property |
| Pvap | 11.26 | kPa | 332.30 | Calculated Property |
| Pvap | 20.25 | kPa | 345.24 | Calculated Property |
| Pvap | 34.67 | kPa | 358.19 | Calculated Property |
| Pvap | 56.86 | kPa | 371.13 | Calculated Property |
| Pvap | 89.74 | kPa | 384.08 | Calculated Property |
| Pvap | 136.91 | kPa | 397.02 | Calculated Property |
| Pvap | 202.65 | kPa | 409.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propen-1-ol, 2-methyl-.
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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