- 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
- CCC/C=C\CO
- Molecular Weight1
- 100.16
- CAS
- 928-94-9
- Other Names
-
- (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
- (Z)-2-Hexenol
- 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.
- Ip : 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 | 0.5600 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | 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 | 866.00 | NIST | |
| 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 | 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 | |
| Inp | 866.00 | NIST | |
| Ip | [1368.00; 1441.00] |
|
|
| Ip | 1420.00 | NIST | |
| Ip | 1420.00 | NIST | |
| Ip | 1405.00 | NIST | |
| Ip | Outlier 1380.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1389.00 | NIST | |
| Ip | 1402.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1399.00 | NIST | |
| Ip | 1420.00 | NIST | |
| Ip | 1416.00 | NIST | |
| Ip | 1416.00 | NIST | |
| Ip | 1405.00 | NIST | |
| Ip | 1398.00 | NIST | |
| Ip | 1434.00 | NIST | |
| Ip | Outlier 1441.00 | NIST | |
| Ip | 1418.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1419.00 | NIST | |
| Ip | 1403.00 | NIST | |
| Ip | 1401.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1413.00 | NIST | |
| Ip | 1417.00 | NIST | |
| Ip | 1418.00 | NIST | |
| Ip | 1397.00 | NIST | |
| Ip | 1407.00 | NIST | |
| Ip | Outlier 1441.00 | NIST | |
| Ip | 1411.00 | NIST | |
| Ip | 1423.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Ip | 1423.00 | NIST | |
| Ip | 1412.00 | NIST | |
| Ip | Outlier 1375.00 | NIST | |
| Ip | 1418.00 | NIST | |
| Ip | 1416.00 | NIST | |
| Ip | 1416.00 | NIST | |
| Ip | Outlier 1368.00 | NIST | |
| Ip | 1420.00 | NIST | |
| Ip | 1405.00 | NIST | |
| Ip | 1410.00 | NIST | |
| Tboil | 430.20 | K | NIST |
| Tc | 609.09 | K | Relay (1.0) Calculated Property |
| Tfus | 193.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.344 | 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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| 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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