- InChI
- InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2
- InChI Key
- TVDSBUOJIPERQY-UHFFFAOYSA-N
- Formula
- C3H4O
- SMILES
- C#CCO
- Molecular Weight1
- 56.06
- CAS
- 107-19-7
- Other Names
-
- 1-Hydroxy-2-propyne
- 1-Propyn-3-ol
- 1-Propyn-3-yl alcohol
- 1-Propyne-3-ol
- 2-Propynol
- 2-Propynyl alcohol
- 2-propyn-1-ol (propargyl alcohol)
- 3-Hydroxy-1-propyne
- 3-Propynol
- Ethynyl carbinol
- HC«equiv»CCH2OH
- Methanol, ethynyl-
- NSC 8804
- Propynyl alcohol
- Rcra waste number P102
- prop-2-yn-1-ol
- propargyl alcohol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 10.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.45; 10.51] | eV |
|
| IE | 10.50 | eV | NIST |
| IE | 10.51 | eV | NIST |
| IE | 10.50 | eV | NIST |
| IE | 10.45 | eV | NIST |
| logPoct/wat | -0.388 | Crippen Calculated Property | |
| McVol | 50.400 | ml/mol | McGowan Calculated Property |
| Inp | [546.00; 576.00] |
|
|
| Inp | 576.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 576.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 569.00 | NIST | |
| Inp | 552.00 | NIST | |
| Inp | 546.00 | NIST | |
| Inp | 559.00 | NIST | |
| Inp | 566.00 | NIST | |
| Inp | 546.00 | NIST | |
| I | [1320.00; 1357.00] |
|
|
| I | 1343.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1343.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1357.00 | NIST | |
| Tboil | [385.00; 387.50] | K |
|
| Tboil | 387.50 ± 0.50 | K | NIST |
| Tboil | 386.80 | K | NIST |
| Tboil | 386.75 ± 0.50 | K | NIST |
| Tboil | 385.00 ± 3.00 | K | NIST |
| Tfus | 221.35 ± 0.30 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [81.35; 101.24] | J/mol×K | [350.34; 523.88] |
|
| Cp,gas | 81.35 | J/mol×K | 350.34 | Joback Calculated Property |
| Cp,gas | 85.08 | J/mol×K | 379.26 | Joback Calculated Property |
| Cp,gas | 88.64 | J/mol×K | 408.19 | Joback Calculated Property |
| Cp,gas | 92.02 | J/mol×K | 437.11 | Joback Calculated Property |
| Cp,gas | 95.25 | J/mol×K | 466.04 | Joback Calculated Property |
| Cp,gas | 98.32 | J/mol×K | 494.96 | Joback Calculated Property |
| Cp,gas | 101.24 | J/mol×K | 523.88 | Joback Calculated Property |
| ΔvapH | 42.00 | kJ/mol | 340.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [3.63e-03; 6558.50] | kPa | [221.35; 580.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.46079e+01 | |||
| Coefficient B | -7.44693e+03 | |||
| Coefficient C | -8.68936e+00 | |||
| Coefficient D | 6.86908e-06 | |||
| Temperature range, min. | 221.35 | |||
| Temperature range, max. | 580.00 | |||
| Pvap | 3.63e-03 | kPa | 221.35 | Calculated Property |
| Pvap | 0.17 | kPa | 261.20 | Calculated Property |
| Pvap | 2.46 | kPa | 301.05 | Calculated Property |
| Pvap | 17.97 | kPa | 340.90 | Calculated Property |
| Pvap | 82.41 | kPa | 380.75 | Calculated Property |
| Pvap | 275.69 | kPa | 420.60 | Calculated Property |
| Pvap | 739.66 | kPa | 460.45 | Calculated Property |
| Pvap | 1696.22 | kPa | 500.30 | Calculated Property |
| Pvap | 3474.37 | kPa | 540.15 | Calculated Property |
| Pvap | 6558.50 | kPa | 580.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-ol.
Mixtures
- 2-Propyn-1-ol + Acetic acid, propyl ester + Water
- 2-Propyn-1-ol + Ethyl Acetate + Water
- 2-Propyn-1-ol + Propane, 2-methoxy-2-methyl- + Water
- 2-Propyn-1-ol + 2-Pentanol, 4-methyl- + Water
- 2-Propyn-1-ol + Trichloromethane + Water
- 2-Propyn-1-ol + Diisopropyl ether + Water
- 2-Propyn-1-ol + Acetic acid, butyl ester + Water
- 2-Propyn-1-ol + Water
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Liquid liquid equilibria of ternary mixture (propargyl alcohol + diisopropyl ether +water)
- Liquid liquid equilibrium of ternary mixture (propargyl alcohol +water + butyl acetate)
- Liquid-liquid equilibrium of the ternary system water p propargyl alcohol p n-propyl acetate
- Liquid-liquid equilibrium study for ternary systems of water + propargyl alcohol + solvents at 308.2 K: Measurement and thermodynamic modelling
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.