- InChI
- InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
- InChI Key
- BVOSSZSHBZQJOI-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C=CC(O)CCC
- Molecular Weight1
- 100.16
- CAS
- 4798-44-1
- Other Names
-
- 1-Hexene-3-ol
- 3-Hydroxy-1-hexene
- Hex-1-en-3-ol
- Hexen-3-ol
- Propylvinylcarbinol
- 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).
- 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° | -51.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -199.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.57 | kJ/mol | Joback Calculated Property |
| log10WS | [-0.59; -0.59] |
|
|
| log10WS | -0.59 | Aq. Sol... | |
| log10WS | -0.59 | Estimat... | |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3664.21 | kPa | Joback Calculated Property |
| Inp | [746.00; 779.00] |
|
|
| Inp | 771.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | Outlier 746.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 776.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 764.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 771.00 | NIST | |
| Inp | 770.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 772.00 | NIST | |
| I | [1225.00; 1295.00] |
|
|
| I | 1225.00 | NIST | |
| I | 1228.00 | NIST | |
| I | 1254.00 | NIST | |
| I | 1261.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1248.00 | NIST | |
| I | 1225.00 | NIST | |
| I | 1295.00 | NIST | |
| Tboil | 425.10 | K | Joback Calculated Property |
| Tc | 592.88 | K | Joback Calculated Property |
| Tfus | 201.44 | K | Joback Calculated Property |
| Vc | 0.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.23; 241.94] | J/mol×K | [425.10; 592.88] |
|
| Cp,gas | 192.23 | J/mol×K | 425.10 | Joback Calculated Property |
| Cp,gas | 201.41 | J/mol×K | 453.06 | Joback Calculated Property |
| Cp,gas | 210.23 | J/mol×K | 481.03 | Joback Calculated Property |
| Cp,gas | 218.68 | J/mol×K | 508.99 | Joback Calculated Property |
| Cp,gas | 226.77 | J/mol×K | 536.95 | Joback Calculated Property |
| Cp,gas | 234.52 | J/mol×K | 564.91 | Joback Calculated Property |
| Cp,gas | 241.94 | J/mol×K | 592.88 | Joback Calculated Property |
| η | [0.0002428; 0.1985438] | Pa×s | [201.44; 425.10] |
|
| η | 0.1985438 | Pa×s | 201.44 | Joback Calculated Property |
| η | 0.0271287 | Pa×s | 238.72 | Joback Calculated Property |
| η | 0.0063461 | Pa×s | 275.99 | Joback Calculated Property |
| η | 0.0020977 | Pa×s | 313.27 | Joback Calculated Property |
| η | 0.0008774 | Pa×s | 350.55 | Joback Calculated Property |
| η | 0.0004340 | Pa×s | 387.82 | Joback Calculated Property |
| η | 0.0002428 | Pa×s | 425.10 | Joback Calculated Property |
| Pvap | [1.24e-03; 0.94] | kPa | [238.20; 308.15] |
|
| Pvap | 1.25e-03 | kPa | 238.20 | Vapor p... |
| Pvap | 1.25e-03 | kPa | 238.20 | Vapor p... |
| Pvap | 1.24e-03 | kPa | 238.20 | Vapor p... |
| Pvap | 2.31e-03 | kPa | 243.15 | Vapor p... |
| Pvap | 2.31e-03 | kPa | 243.15 | Vapor p... |
| Pvap | 2.31e-03 | kPa | 243.15 | Vapor p... |
| Pvap | 4.18e-03 | kPa | 248.15 | Vapor p... |
| Pvap | 4.19e-03 | kPa | 248.20 | Vapor p... |
| Pvap | 4.19e-03 | kPa | 248.20 | Vapor p... |
| Pvap | 7.37e-03 | kPa | 253.15 | Vapor p... |
| Pvap | 7.37e-03 | kPa | 253.15 | Vapor p... |
| Pvap | 7.38e-03 | kPa | 253.15 | Vapor p... |
| Pvap | 0.01 | kPa | 258.15 | Vapor p... |
| Pvap | 0.01 | kPa | 258.15 | Vapor p... |
| Pvap | 0.01 | kPa | 258.15 | Vapor p... |
| Pvap | 0.02 | kPa | 263.15 | Vapor p... |
| Pvap | 0.02 | kPa | 263.15 | Vapor p... |
| Pvap | 0.02 | kPa | 263.15 | Vapor p... |
| Pvap | 0.04 | kPa | 268.15 | Vapor p... |
| Pvap | 0.04 | kPa | 268.15 | Vapor p... |
| Pvap | 0.04 | kPa | 268.15 | Vapor p... |
| Pvap | 0.06 | kPa | 273.15 | Vapor p... |
| Pvap | 0.06 | kPa | 273.15 | Vapor p... |
| Pvap | 0.06 | kPa | 273.15 | Vapor p... |
| Pvap | 0.09 | kPa | 278.15 | Vapor p... |
| Pvap | 0.09 | kPa | 278.15 | Vapor p... |
| Pvap | 0.09 | kPa | 278.15 | Vapor p... |
| Pvap | 0.14 | kPa | 283.15 | Vapor p... |
| Pvap | 0.14 | kPa | 283.15 | Vapor p... |
| Pvap | 0.14 | kPa | 283.15 | Vapor p... |
| Pvap | 0.21 | kPa | 288.15 | Vapor p... |
| Pvap | 0.21 | kPa | 288.15 | Vapor p... |
| Pvap | 0.21 | kPa | 288.15 | Vapor p... |
| Pvap | 0.31 | kPa | 293.15 | Vapor p... |
| Pvap | 0.31 | kPa | 293.15 | Vapor p... |
| Pvap | 0.31 | kPa | 293.15 | Vapor p... |
| Pvap | 0.46 | kPa | 298.15 | Vapor p... |
| Pvap | 0.46 | kPa | 298.15 | Vapor p... |
| Pvap | 0.46 | kPa | 298.15 | Vapor p... |
| Pvap | 0.66 | kPa | 303.15 | Vapor p... |
| Pvap | 0.66 | kPa | 303.15 | Vapor p... |
| Pvap | 0.66 | kPa | 303.15 | Vapor p... |
| Pvap | 0.94 | kPa | 308.15 | Vapor p... |
| Pvap | 0.94 | kPa | 308.15 | Vapor p... |
| Pvap | 0.94 | kPa | 308.15 | Vapor p... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.60; 202.65] | kPa | [295.70; 454.93] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41423e+01 | |||
| Coefficient B | -3.53631e+03 | |||
| Coefficient C | -5.44770e+01 | |||
| Temperature range, min. | 295.70 | |||
| Temperature range, max. | 454.93 | |||
| Pvap | 0.60 | kPa | 295.70 | Calculated Property |
| Pvap | 1.62 | kPa | 313.39 | Calculated Property |
| Pvap | 3.89 | kPa | 331.08 | Calculated Property |
| Pvap | 8.38 | kPa | 348.78 | Calculated Property |
| Pvap | 16.57 | kPa | 366.47 | Calculated Property |
| Pvap | 30.44 | kPa | 384.16 | Calculated Property |
| Pvap | 52.57 | kPa | 401.85 | Calculated Property |
| Pvap | 86.10 | kPa | 419.55 | Calculated Property |
| Pvap | 134.73 | kPa | 437.24 | Calculated Property |
| Pvap | 202.65 | kPa | 454.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexen-3-ol.
Sources
- Crippen Method
- Vapor pressures and thermophysical properties of selected hexenols and recommended vapor pressure for hexan-1-ol
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.