- InChI
- InChI=1S/C6H10O/c1-3-5-6(7)4-2/h6-7H,4H2,1-2H3
- InChI Key
- KARLLBDFLHNKBO-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CC#CC(O)CC
- Molecular Weight1
- 98.14
- CAS
- 20739-59-7
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 63.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.39 | 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 | 4249.61 | kPa | Joback Calculated Property |
| Tboil | 437.42 | K | Joback Calculated Property |
| Tc | 624.36 | K | Joback Calculated Property |
| Tfus | 309.30 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.90; 224.92] | J/mol×K | [437.42; 624.36] | 
|
| Cp,gas | 178.90 | J/mol×K | 437.42 | Joback Calculated Property |
| Cp,gas | 187.39 | J/mol×K | 468.58 | Joback Calculated Property |
| Cp,gas | 195.55 | J/mol×K | 499.73 | Joback Calculated Property |
| Cp,gas | 203.37 | J/mol×K | 530.89 | Joback Calculated Property |
| Cp,gas | 210.87 | J/mol×K | 562.04 | Joback Calculated Property |
| Cp,gas | 218.05 | J/mol×K | 593.20 | Joback Calculated Property |
| Cp,gas | 224.92 | J/mol×K | 624.36 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.00 | K | 14.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.31; 205.42] | kPa | [328.15; 450.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64464e+01 | |||
| Coefficient B | -4.34111e+03 | |||
| Coefficient C | -5.98080e+01 | |||
| Temperature range, min. | 328.15 | |||
| Temperature range, max. | 450.15 | |||
| Pvap | 1.31 | kPa | 328.15 | Calculated Property |
| Pvap | 2.85 | kPa | 341.71 | Calculated Property |
| Pvap | 5.77 | kPa | 355.26 | Calculated Property |
| Pvap | 11.00 | kPa | 368.82 | Calculated Property |
| Pvap | 19.85 | kPa | 382.37 | Calculated Property |
| Pvap | 34.16 | kPa | 395.93 | Calculated Property |
| Pvap | 56.36 | kPa | 409.48 | Calculated Property |
| Pvap | 89.57 | kPa | 423.04 | Calculated Property |
| Pvap | 137.68 | kPa | 436.59 | Calculated Property |
| Pvap | 205.42 | kPa | 450.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexyn-3-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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