- InChI
- InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4-
- InChI Key
- ZCHHRLHTBGRGOT-PLNGDYQASA-N
- Formula
- C6H12O
- SMILES
- CCCC=CCO
- Molecular Weight1
- 100.16
- CAS
- 928-94-9
- Other Names
-
- (Z)-2-Hexenol
- (Z)-Hex-2-en-1-ol
- (Z)-Hex-2-ene-1-ol
- (Z)-Hex-2-enol
- Z-2-Hexen-1-ol
- cis-2-Hexen-1-ol
- cis-2-Hexenol
- cis-hex-2-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).
- 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 |
|---|---|---|---|
| ω | 0.5578 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | 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 | [827.00; 885.70] |
|
|
| Inp | 869.00 | NIST | |
| Inp | Outlier 827.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | Outlier 885.70 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 865.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | Outlier 827.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 863.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 866.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | Outlier 827.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 846.00 | NIST | |
| I | [1368.00; 1441.00] |
|
|
| I | 1420.00 | NIST | |
| I | 1420.00 | NIST | |
| I | 1405.00 | NIST | |
| I | Outlier 1380.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1402.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1399.00 | NIST | |
| I | 1420.00 | NIST | |
| I | 1416.00 | NIST | |
| I | 1416.00 | NIST | |
| I | 1405.00 | NIST | |
| I | 1398.00 | NIST | |
| I | 1434.00 | NIST | |
| I | Outlier 1441.00 | NIST | |
| I | 1418.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1419.00 | NIST | |
| I | 1403.00 | NIST | |
| I | 1401.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1418.00 | NIST | |
| I | 1397.00 | NIST | |
| I | 1407.00 | NIST | |
| I | Outlier 1441.00 | NIST | |
| I | 1411.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1410.00 | NIST | |
| I | 1423.00 | NIST | |
| I | 1412.00 | NIST | |
| I | Outlier 1375.00 | NIST | |
| I | 1418.00 | NIST | |
| I | 1416.00 | NIST | |
| I | 1416.00 | NIST | |
| I | Outlier 1368.00 | NIST | |
| I | 1420.00 | NIST | |
| I | 1405.00 | NIST | |
| I | 1410.00 | NIST | |
| Tboil | 430.20 | K | NIST |
| Tc | 609.55 | K | Relay (1.0) Calculated Property |
| Tfus | 203.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 345.00 ± 1.00 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.26; 316.96] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.14570e+01 | |||
| Coefficient B | 6.27820e-01 | |||
| Coefficient C | -4.16800e-04 | |||
| Coefficient D | 1.17400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 163.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 217.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 239.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 276.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 291.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 304.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 316.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0918576; 0.0002362] | Pa×s | [213.12; 421.43] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.44522e+01 | |||
| Coefficient B | 2.57123e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 213.12 | |||
| Temperature range, max. | 421.43 | |||
| η | 0.0918576 | Pa×s | 213.12 | Calculated Property |
| η | 0.0281724 | Pa×s | 236.27 | Calculated Property |
| η | 0.0106691 | Pa×s | 259.41 | Calculated Property |
| η | 0.0047371 | Pa×s | 282.56 | Calculated Property |
| η | 0.0023785 | Pa×s | 305.70 | Calculated Property |
| η | 0.0013158 | Pa×s | 328.85 | Calculated Property |
| η | 0.0007869 | Pa×s | 351.99 | Calculated Property |
| η | 0.0005014 | Pa×s | 375.14 | Calculated Property |
| η | 0.0003367 | Pa×s | 398.28 | Calculated Property |
| η | 0.0002362 | Pa×s | 421.43 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [328.55; 454.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.60167e+01 | |||
| Coefficient B | -4.20816e+03 | |||
| Coefficient C | -6.10100e+01 | |||
| Temperature range, min. | 328.55 | |||
| Temperature range, max. | 454.10 | |||
| Pvap | 1.33 | kPa | 328.55 | Calculated Property |
| Pvap | 2.91 | kPa | 342.50 | Calculated Property |
| Pvap | 5.89 | kPa | 356.45 | Calculated Property |
| Pvap | 11.19 | kPa | 370.40 | Calculated Property |
| Pvap | 20.13 | kPa | 384.35 | Calculated Property |
| Pvap | 34.48 | kPa | 398.30 | Calculated Property |
| Pvap | 56.59 | kPa | 412.25 | Calculated Property |
| Pvap | 89.43 | kPa | 426.20 | Calculated Property |
| Pvap | 136.66 | kPa | 440.15 | Calculated Property |
| Pvap | 202.63 | kPa | 454.10 | Calculated Property |
Similar Compounds
![[2,3-2H2]-(E)-2-Octen-1-ol.](data:image/png;base64,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)
Find more compounds similar to 2-Hexen-1-ol, (Z)-.
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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