- InChI
- InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+
- InChI Key
- YDXQPTHHAPCTPP-AATRIKPKSA-N
- Formula
- C8H16O
- SMILES
- CCCCC=CCCO
- Molecular Weight1
- 128.21
- CAS
- 20125-85-3
- Other Names
-
- trans-3-Octen-1-ol
- (3E)-3-Octen-1-ol
- (E)-3-Octen-1-ol
- (E)-oct-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).
- 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 | 0.6234 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) 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 | [1036.00; 1066.00] |
|
|
| Inp | 1066.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1066.00 | NIST | |
| I | [1541.00; 1558.00] |
|
|
| I | 1558.00 | NIST | |
| I | 1541.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1541.00 | NIST | |
| Tboil | 467.12 | K | Relay (1.0) Calculated Property |
| Tc | 650.15 | K | Relay (1.0) Calculated Property |
| Tfus | 206.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.69; 420.14] | 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 | -1.32750e+01 | |||
| Coefficient B | 8.17820e-01 | |||
| Coefficient C | -5.25600e-04 | |||
| Coefficient D | 1.41200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 317.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 343.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 386.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 404.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 420.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0553869; 0.0002038] | Pa×s | [235.66; 452.03] |
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 | -1.46033e+01 | |||
| Coefficient B | 2.75955e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 235.66 | |||
| Temperature range, max. | 452.03 | |||
| η | 0.0553869 | Pa×s | 235.66 | Calculated Property |
| η | 0.0187337 | Pa×s | 259.70 | Calculated Property |
| η | 0.0076141 | Pa×s | 283.74 | Calculated Property |
| η | 0.0035620 | Pa×s | 307.78 | Calculated Property |
| η | 0.0018603 | Pa×s | 331.83 | Calculated Property |
| η | 0.0010607 | Pa×s | 355.87 | Calculated Property |
| η | 0.0006493 | Pa×s | 379.91 | Calculated Property |
| η | 0.0004214 | Pa×s | 403.95 | Calculated Property |
| η | 0.0002871 | Pa×s | 427.99 | Calculated Property |
| η | 0.0002038 | Pa×s | 452.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octen-1-ol, (E)-.
Sources
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