- InChI
- InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
- InChI Key
- AYQPVPFZWIQERS-VOTSOKGWSA-N
- Formula
- C8H16O
- SMILES
- CCCCCC=CCO
- Molecular Weight1
- 128.21
- CAS
- 22104-78-5
- Other Names
-
- 2-Octenol
- Oct-2-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).
- 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 |
|---|---|---|---|
| ΔfG° | -40.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.04 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.115 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Inp | [1039.70; 1071.00] |
|
|
| Inp | 1039.70 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1071.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1066.00 | NIST | |
| I | [1577.00; 1647.00] |
|
|
| I | 1603.00 | NIST | |
| I | 1603.00 | NIST | |
| I | Outlier 1577.00 | NIST | |
| I | 1628.00 | NIST | |
| I | Outlier 1580.00 | NIST | |
| I | 1637.00 | NIST | |
| I | 1637.00 | NIST | |
| I | 1637.00 | NIST | |
| I | 1647.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1598.00 | NIST | |
| I | 1617.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1625.00 | NIST | |
| I | 1610.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1616.00 | NIST | |
| I | 1603.00 | NIST | |
| I | 1628.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1610.00 | NIST | |
| Tboil | 478.78 | K | Joback Calculated Property |
| Tc | 645.49 | K | Joback Calculated Property |
| Tfus | 235.66 | K | Joback Calculated Property |
| Vc | 0.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.29; 333.60] | J/mol×K | [478.78; 645.49] |
|
| Cp,gas | 273.29 | J/mol×K | 478.78 | Joback Calculated Property |
| Cp,gas | 284.49 | J/mol×K | 506.57 | Joback Calculated Property |
| Cp,gas | 295.20 | J/mol×K | 534.35 | Joback Calculated Property |
| Cp,gas | 305.44 | J/mol×K | 562.14 | Joback Calculated Property |
| Cp,gas | 315.25 | J/mol×K | 589.92 | Joback Calculated Property |
| Cp,gas | 324.63 | J/mol×K | 617.71 | Joback Calculated Property |
| Cp,gas | 333.60 | J/mol×K | 645.49 | Joback Calculated Property |
| η | [0.0001449; 0.0553869] | Pa×s | [235.66; 478.78] |
|
| η | 0.0553869 | Pa×s | 235.66 | Joback Calculated Property |
| η | 0.0099375 | Pa×s | 276.18 | Joback Calculated Property |
| η | 0.0027674 | Pa×s | 316.70 | Joback Calculated Property |
| η | 0.0010300 | Pa×s | 357.22 | Joback Calculated Property |
| η | 0.0004689 | Pa×s | 397.74 | Joback Calculated Property |
| η | 0.0002469 | Pa×s | 438.26 | Joback Calculated Property |
| η | 0.0001449 | Pa×s | 478.78 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [361.72; 503.01] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55989e+01 | |||
| Coefficient B | -4.42976e+03 | |||
| Coefficient C | -7.24080e+01 | |||
| Temperature range, min. | 361.72 | |||
| Temperature range, max. | 503.01 | |||
| Pvap | 1.33 | kPa | 361.72 | Calculated Property |
| Pvap | 2.93 | kPa | 377.42 | Calculated Property |
| Pvap | 5.97 | kPa | 393.12 | Calculated Property |
| Pvap | 11.37 | kPa | 408.82 | Calculated Property |
| Pvap | 20.46 | kPa | 424.52 | Calculated Property |
| Pvap | 35.00 | kPa | 440.21 | Calculated Property |
| Pvap | 57.30 | kPa | 455.91 | Calculated Property |
| Pvap | 90.24 | kPa | 471.61 | Calculated Property |
| Pvap | 137.32 | kPa | 487.31 | Calculated Property |
| Pvap | 202.67 | kPa | 503.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octen-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.