- InChI
- InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3
- InChI Key
- UFLHIIWVXFIJGU-UHFFFAOYSA-N
- Formula
- C6H12O
- SMILES
- CCC=CCCO
- Molecular Weight1
- 100.16
- CAS
- 544-12-7
- Other Names
-
- 3-Hexen-1-ol (c,t)
- 3-Hexenol
- Hex-3-en-1-ol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5581 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.335 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Inp | [838.00; 858.00] |
|
|
| Inp | 856.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 857.00 | NIST | |
| I | [1372.00; 1434.00] |
|
|
| I | Outlier 1434.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1388.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1372.00 | NIST | |
| Tboil | 424.90 | K | Relay (1.0) Calculated Property |
| Tc | 613.28 | K | Relay (1.0) Calculated Property |
| Tfus | 186.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.78; 240.99] | J/mol×K | [433.02; 601.76] |
|
| Cp,gas | 191.78 | J/mol×K | 433.02 | Joback Calculated Property |
| Cp,gas | 200.94 | J/mol×K | 461.14 | Joback Calculated Property |
| Cp,gas | 209.69 | J/mol×K | 489.27 | Joback Calculated Property |
| Cp,gas | 218.06 | J/mol×K | 517.39 | Joback Calculated Property |
| Cp,gas | 226.05 | J/mol×K | 545.51 | Joback Calculated Property |
| Cp,gas | 233.69 | J/mol×K | 573.64 | Joback Calculated Property |
| Cp,gas | 240.99 | J/mol×K | 601.76 | Joback Calculated Property |
| η | [0.0002006; 0.0918576] | Pa×s | [213.12; 433.02] |
|
| η | 0.0918576 | Pa×s | 213.12 | Joback Calculated Property |
| η | 0.0156415 | Pa×s | 249.77 | Joback Calculated Property |
| η | 0.0041899 | Pa×s | 286.42 | Joback Calculated Property |
| η | 0.0015133 | Pa×s | 323.07 | Joback Calculated Property |
| η | 0.0006726 | Pa×s | 359.72 | Joback Calculated Property |
| η | 0.0003473 | Pa×s | 396.37 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 433.02 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [327.72; 448.58] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64152e+01 | |||
| Coefficient B | -4.30813e+03 | |||
| Coefficient C | -6.05930e+01 | |||
| Temperature range, min. | 327.72 | |||
| Temperature range, max. | 448.58 | |||
| Pvap | 1.33 | kPa | 327.72 | Calculated Property |
| Pvap | 2.89 | kPa | 341.15 | Calculated Property |
| Pvap | 5.82 | kPa | 354.58 | Calculated Property |
| Pvap | 11.04 | kPa | 368.01 | Calculated Property |
| Pvap | 19.84 | kPa | 381.44 | Calculated Property |
| Pvap | 34.03 | kPa | 394.86 | Calculated Property |
| Pvap | 55.97 | kPa | 408.29 | Calculated Property |
| Pvap | 88.73 | kPa | 421.72 | Calculated Property |
| Pvap | 136.09 | kPa | 435.15 | Calculated Property |
| Pvap | 202.64 | kPa | 448.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexen-1-ol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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