- InChI
- InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3
- InChI Key
- MEIRRNXMZYDVDW-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CC=CC=CCO
- Molecular Weight1
- 98.14
- CAS
- 111-28-4
- Other Names
-
- 1-Hydroxy-2,4-hexadiene
- 2,4-Hexadiene-1-ol
- 2,4-Hexadienol
- Hexacose
- Hexakose
- Sorbic alcohol
- Sorbinic alcohol
- Sorbyl alcohol
- hexa-2,4-dien-1-ol
- n-Hexa-2,4-dien-1-ol
- 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° | 23.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.55 | kJ/mol | Joback Calculated Property |
| log10WS | -1.30 | Crippen Calculated Property | |
| logPoct/wat | 1.111 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3916.03 | kPa | Joback Calculated Property |
| Inp | [882.00; 916.00] |
|
|
| Inp | 882.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 882.00 | NIST | |
| I | [1523.00; 1588.00] |
|
|
| I | 1523.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1570.00 | NIST | |
| Tboil | 437.18 | K | Joback Calculated Property |
| Tc | 614.05 | K | Joback Calculated Property |
| Tfus | 302.00 ± 2.00 | K | NIST |
| Vc | 0.350 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.67; 221.56] | J/mol×K | [437.18; 614.05] |
|
| Cp,gas | 175.67 | J/mol×K | 437.18 | Joback Calculated Property |
| Cp,gas | 184.40 | J/mol×K | 466.66 | Joback Calculated Property |
| Cp,gas | 192.67 | J/mol×K | 496.14 | Joback Calculated Property |
| Cp,gas | 200.49 | J/mol×K | 525.62 | Joback Calculated Property |
| Cp,gas | 207.90 | J/mol×K | 555.09 | Joback Calculated Property |
| Cp,gas | 214.91 | J/mol×K | 584.57 | Joback Calculated Property |
| Cp,gas | 221.56 | J/mol×K | 614.05 | Joback Calculated Property |
| η | [0.0001614; 0.0989187] | Pa×s | [208.04; 437.18] |
|
| η | 0.0989187 | Pa×s | 208.04 | Joback Calculated Property |
| η | 0.0148070 | Pa×s | 246.23 | Joback Calculated Property |
| η | 0.0036911 | Pa×s | 284.42 | Joback Calculated Property |
| η | 0.0012784 | Pa×s | 322.61 | Joback Calculated Property |
| η | 0.0005542 | Pa×s | 360.80 | Joback Calculated Property |
| η | 0.0002820 | Pa×s | 398.99 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 437.18 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [306.93; 430.62] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56104e+01 | |||
| Coefficient B | -3.88524e+03 | |||
| Coefficient C | -5.33670e+01 | |||
| Temperature range, min. | 306.93 | |||
| Temperature range, max. | 430.62 | |||
| Pvap | 1.33 | kPa | 306.93 | Calculated Property |
| Pvap | 2.93 | kPa | 320.67 | Calculated Property |
| Pvap | 5.97 | kPa | 334.42 | Calculated Property |
| Pvap | 11.37 | kPa | 348.16 | Calculated Property |
| Pvap | 20.45 | kPa | 361.90 | Calculated Property |
| Pvap | 34.98 | kPa | 375.65 | Calculated Property |
| Pvap | 57.28 | kPa | 389.39 | Calculated Property |
| Pvap | 90.22 | kPa | 403.13 | Calculated Property |
| Pvap | 137.31 | kPa | 416.88 | Calculated Property |
| Pvap | 202.67 | kPa | 430.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadien-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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