- InChI
- InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5+
- InChI Key
- APFBWMGEGSELQP-AATRIKPKSA-N
- Formula
- C8H14O
- SMILES
- C=CC(O)CC=CCC
- Molecular Weight1
- 126.20
- Other Names
-
- octa-1,5-dien-3-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 | 0.5155 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.890 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3114.04 | kPa | Joback Calculated Property |
| Inp | [965.00; 988.00] |
|
|
| Inp | 977.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 974.00 | NIST | |
| I | [1357.00; 1390.00] |
|
|
| I | 1357.00 | NIST | |
| I | 1390.00 | NIST | |
| Tboil | 435.21 | K | Relay (1.0) Calculated Property |
| Tc | 615.74 | K | Relay (1.0) Calculated Property |
| Tfus | 220.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.57; 392.17] | 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 | -1.79480e+01 | |||
| Coefficient B | 8.03720e-01 | |||
| Coefficient C | -5.51700e-04 | |||
| Coefficient D | 1.58100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 240.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 298.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 322.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 343.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 361.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 377.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1182924; 0.0001844] | Pa×s | [218.90; 454.04] |
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 | -1.46161e+01 | |||
| Coefficient B | 2.73221e+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. | 218.90 | |||
| Temperature range, max. | 454.04 | |||
| η | 0.1182924 | Pa×s | 218.90 | Calculated Property |
| η | 0.0312576 | Pa×s | 245.03 | Calculated Property |
| η | 0.0106743 | Pa×s | 271.15 | Calculated Property |
| η | 0.0044030 | Pa×s | 297.28 | Calculated Property |
| η | 0.0020955 | Pa×s | 323.41 | Calculated Property |
| η | 0.0011144 | Pa×s | 349.54 | Calculated Property |
| η | 0.0006470 | Pa×s | 375.66 | Calculated Property |
| η | 0.0004032 | Pa×s | 401.79 | Calculated Property |
| η | 0.0002662 | Pa×s | 427.92 | Calculated Property |
| η | 0.0001844 | Pa×s | 454.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-octadien-3-ol.
Sources
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