- InChI
- InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3
- InChI Key
- LTFTWJYRQNTCHI-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- C#CC(O)CCC
- Molecular Weight1
- 98.14
- CAS
- 105-31-7
- Other Names
-
- 1-Hexyne-3-ol
- 1-Propylpropargyl alcohol
- 3-Hydroxy-1-hexyne
- Hexynol
- Propylethinylcarbinol
- hex-1-yn-3-ol
- 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).
- 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).
- 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° | 83.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.10 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 0.781 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| Tboil | 415.50 ± 0.50 | K | NIST |
| Tc | 594.25 | K | Joback Calculated Property |
| Tfus | 250.17 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.65; 224.88] | J/mol×K | [418.54; 594.25] | 
|
| Cp,gas | 180.65 | J/mol×K | 418.54 | Joback Calculated Property |
| Cp,gas | 188.90 | J/mol×K | 447.83 | Joback Calculated Property |
| Cp,gas | 196.77 | J/mol×K | 477.11 | Joback Calculated Property |
| Cp,gas | 204.30 | J/mol×K | 506.40 | Joback Calculated Property |
| Cp,gas | 211.48 | J/mol×K | 535.68 | Joback Calculated Property |
| Cp,gas | 218.34 | J/mol×K | 564.97 | Joback Calculated Property |
| Cp,gas | 224.88 | J/mol×K | 594.25 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.31; 204.66] | kPa | [319.15; 438.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64587e+01 | |||
| Coefficient B | -4.24882e+03 | |||
| Coefficient C | -5.66590e+01 | |||
| Temperature range, min. | 319.15 | |||
| Temperature range, max. | 438.15 | |||
| Pvap | 1.31 | kPa | 319.15 | Calculated Property |
| Pvap | 2.85 | kPa | 332.37 | Calculated Property |
| Pvap | 5.78 | kPa | 345.59 | Calculated Property |
| Pvap | 10.99 | kPa | 358.82 | Calculated Property |
| Pvap | 19.82 | kPa | 372.04 | Calculated Property |
| Pvap | 34.08 | kPa | 385.26 | Calculated Property |
| Pvap | 56.20 | kPa | 398.48 | Calculated Property |
| Pvap | 89.28 | kPa | 411.71 | Calculated Property |
| Pvap | 137.20 | kPa | 424.93 | Calculated Property |
| Pvap | 204.66 | kPa | 438.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexyn-3-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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