- InChI
- InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
- InChI Key
- UFLHIIWVXFIJGU-ONEGZZNKSA-N
- Formula
- C6H12O
- SMILES
- CCC=CCCO
- Molecular Weight1
- 100.16
- CAS
- 928-97-2
- Other Names
-
- (3E)-Hexenol
- (E)-3-Hexen-1-ol
- (E)-Hex-3-en-1-ol
- (E)-Hex-3-enol
- 3(E)-hexen-1-ol
- E-3-Hexenol
- trans-3-Hexen-1-ol
- trans-3-Hexenol
- trans-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).
- 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 | 0.5581 | 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° | 59.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | 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 | [814.00; 873.00] |
|
|
| Inp | 831.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | Outlier 873.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 861.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 846.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 843.00 | NIST | |
| Inp | 851.70 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 857.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | Outlier 814.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 851.70 | NIST | |
| Inp | 855.00 | NIST | |
| I | [1326.00; 1413.00] |
|
|
| I | 1366.00 | NIST | |
| I | 1361.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1361.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1370.00 | NIST | |
| I | 1369.00 | NIST | |
| I | 1370.00 | NIST | |
| I | Outlier 1334.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1370.00 | NIST | |
| I | 1373.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1373.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1379.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1349.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1369.20 | NIST | |
| I | 1364.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1346.00 | NIST | |
| I | 1356.00 | NIST | |
| I | 1349.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1357.00 | NIST | |
| I | 1340.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1359.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1346.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1352.00 | NIST | |
| I | Outlier 1410.00 | NIST | |
| I | 1369.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1365.00 | NIST | |
| I | 1379.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1361.00 | NIST | |
| I | 1359.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1365.00 | NIST | |
| I | 1384.00 | NIST | |
| I | 1369.00 | NIST | |
| I | Outlier 1400.00 | NIST | |
| I | 1370.00 | NIST | |
| I | 1365.00 | NIST | |
| I | 1365.00 | NIST | |
| I | 1385.00 | NIST | |
| I | 1370.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1374.00 | NIST | |
| I | Outlier 1326.00 | NIST | |
| I | Outlier 1334.00 | NIST | |
| I | 1368.00 | NIST | |
| I | Outlier 1413.00 | NIST | |
| I | 1380.00 | NIST | |
| I | 1363.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1372.00 | NIST | |
| I | 1349.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1346.00 | NIST | |
| I | Outlier 1401.00 | NIST | |
| I | 1367.00 | NIST | |
| I | Outlier 1334.00 | NIST | |
| I | 1356.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1372.00 | NIST | |
| I | 1351.00 | NIST | |
| I | 1365.00 | NIST | |
| I | 1391.00 | NIST | |
| I | 1372.00 | NIST | |
| I | 1343.00 | NIST | |
| I | Outlier 1404.00 | NIST | |
| I | 1374.00 | NIST | |
| I | 1392.00 | NIST | |
| I | 1376.00 | NIST | |
| I | 1353.00 | NIST | |
| I | Outlier 1331.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1376.00 | NIST | |
| I | 1342.00 | NIST | |
| I | 1362.00 | NIST | |
| I | 1366.00 | NIST | |
| I | 1368.00 | NIST | |
| I | 1371.00 | NIST | |
| I | 1381.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1346.00 | NIST | |
| I | 1367.00 | NIST | |
| I | 1386.00 | NIST | |
| I | 1394.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1360.00 | NIST | |
| I | 1359.00 | NIST | |
| I | Outlier 1400.00 | NIST | |
| I | 1370.00 | NIST | |
| Tboil | 427.70 | K | NIST |
| Tc | 618.86 | K | Relay (1.0) Calculated Property |
| Tfus | 185.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.85; 241.06] | J/mol×K | [433.22; 602.04] |
|
| Cp,gas | 191.85 | J/mol×K | 433.22 | Joback Calculated Property |
| Cp,gas | 201.00 | J/mol×K | 461.36 | Joback Calculated Property |
| Cp,gas | 209.76 | J/mol×K | 489.49 | Joback Calculated Property |
| Cp,gas | 218.13 | J/mol×K | 517.63 | Joback Calculated Property |
| Cp,gas | 226.12 | J/mol×K | 545.77 | Joback Calculated Property |
| Cp,gas | 233.76 | J/mol×K | 573.90 | Joback Calculated Property |
| Cp,gas | 241.06 | J/mol×K | 602.04 | Joback Calculated Property |
| η | [0.0002000; 0.0918576] | Pa×s | [213.12; 433.22] |
|
| η | 0.0918576 | Pa×s | 213.12 | Joback Calculated Property |
| η | 0.0156200 | Pa×s | 249.80 | Joback Calculated Property |
| η | 0.0041811 | Pa×s | 286.49 | Joback Calculated Property |
| η | 0.0015095 | Pa×s | 323.17 | Joback Calculated Property |
| η | 0.0006708 | Pa×s | 359.85 | Joback Calculated Property |
| η | 0.0003464 | Pa×s | 396.54 | Joback Calculated Property |
| η | 0.0002000 | Pa×s | 433.22 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [334.50; 334.70] | K | [1.60; 1.60] |
|
| Tboilr | 334.70 | K | 1.60 | NIST |
| Tboilr | 334.50 ± 0.50 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [327.72; 451.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61892e+01 | |||
| Coefficient B | -4.24776e+03 | |||
| Coefficient C | -6.05930e+01 | |||
| Temperature range, min. | 327.72 | |||
| Temperature range, max. | 451.09 | |||
| Pvap | 1.33 | kPa | 327.72 | Calculated Property |
| Pvap | 2.90 | kPa | 341.43 | Calculated Property |
| Pvap | 5.86 | kPa | 355.14 | Calculated Property |
| Pvap | 11.12 | kPa | 368.84 | Calculated Property |
| Pvap | 20.00 | kPa | 382.55 | Calculated Property |
| Pvap | 34.28 | kPa | 396.26 | Calculated Property |
| Pvap | 56.32 | kPa | 409.97 | Calculated Property |
| Pvap | 89.13 | kPa | 423.67 | Calculated Property |
| Pvap | 136.41 | kPa | 437.38 | Calculated Property |
| Pvap | 202.64 | kPa | 451.09 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexen-1-ol, (E)-.
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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