- InChI
- InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
- InChI Key
- UIZVMOZAXAMASY-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- C=CCCCCO
- Molecular Weight1
- 100.16
- CAS
- 821-41-0
- Other Names
-
- 1-Hexen-6-ol
- 5-Hexenol
- Hex-5-en-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | -49.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.20 ± 0.10 | kJ/mol | NIST |
| log10WS | -1.45 | Crippen Calculated Property | |
| logPoct/wat | 1.335 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Inp | [820.00; 878.60] |
|
|
| Inp | 878.60 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 878.60 | NIST | |
| I | [1394.00; 1394.00] |
|
|
| I | 1394.00 | NIST | |
| I | 1394.00 | NIST | |
| Tboil | 413.00 ± 6.00 | K | NIST |
| Tc | 589.74 | K | Joback Calculated Property |
| Tfus | 216.44 | K | Joback Calculated Property |
| Vc | 0.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.15; 240.53] | J/mol×K | [425.54; 589.74] |
|
| Cp,gas | 192.15 | J/mol×K | 425.54 | Joback Calculated Property |
| Cp,gas | 201.07 | J/mol×K | 452.91 | Joback Calculated Property |
| Cp,gas | 209.63 | J/mol×K | 480.27 | Joback Calculated Property |
| Cp,gas | 217.84 | J/mol×K | 507.64 | Joback Calculated Property |
| Cp,gas | 225.72 | J/mol×K | 535.01 | Joback Calculated Property |
| Cp,gas | 233.28 | J/mol×K | 562.37 | Joback Calculated Property |
| Cp,gas | 240.53 | J/mol×K | 589.74 | Joback Calculated Property |
| η | [0.0002525; 0.0787990] | Pa×s | [216.44; 425.54] |
|
| η | 0.0787990 | Pa×s | 216.44 | Joback Calculated Property |
| η | 0.0155787 | Pa×s | 251.29 | Joback Calculated Property |
| η | 0.0045712 | Pa×s | 286.14 | Joback Calculated Property |
| η | 0.0017504 | Pa×s | 320.99 | Joback Calculated Property |
| η | 0.0008090 | Pa×s | 355.84 | Joback Calculated Property |
| η | 0.0004291 | Pa×s | 390.69 | Joback Calculated Property |
| η | 0.0002525 | Pa×s | 425.54 | Joback Calculated Property |
| ΔvapH | [55.70; 58.00] | kJ/mol | [343.00; 358.00] |
|
| ΔvapH | 58.00 ± 0.10 | kJ/mol | 343.00 | NIST |
| ΔvapH | 55.70 ± 0.10 | kJ/mol | 358.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 352.20 | K | 3.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.62] | kPa | [295.70; 432.83] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.76558e+01 | |||
| Coefficient B | -4.60538e+03 | |||
| Coefficient C | -5.97590e+01 | |||
| Temperature range, min. | 295.70 | |||
| Temperature range, max. | 432.83 | |||
| Pvap | 0.16 | kPa | 295.70 | Calculated Property |
| Pvap | 0.51 | kPa | 310.94 | Calculated Property |
| Pvap | 1.45 | kPa | 326.17 | Calculated Property |
| Pvap | 3.69 | kPa | 341.41 | Calculated Property |
| Pvap | 8.53 | kPa | 356.65 | Calculated Property |
| Pvap | 18.19 | kPa | 371.88 | Calculated Property |
| Pvap | 36.15 | kPa | 387.12 | Calculated Property |
| Pvap | 67.58 | kPa | 402.36 | Calculated Property |
| Pvap | 119.78 | kPa | 417.59 | Calculated Property |
| Pvap | 202.62 | kPa | 432.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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