- InChI
- InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
- InChI Key
- UGRZKHOGKYSHQP-AATRIKPKSA-N
- Formula
- C8H16O
- SMILES
- CCC=CCC(O)CC
- Molecular Weight1
- 128.21
- 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 | 0.5416 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Inp | 979.00 | NIST | |
| I | 1420.00 | NIST | |
| Tboil | 437.07 | K | Relay (1.0) Calculated Property |
| Tc | 617.51 | K | Relay (1.0) Calculated Property |
| Tfus | 218.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.38; 420.68] | 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 | -1.49570e+01 | |||
| Coefficient B | 8.23740e-01 | |||
| Coefficient C | -5.28800e-04 | |||
| Coefficient D | 1.40700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 288.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 317.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 343.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 386.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 404.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 420.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1274533; 0.0001884] | Pa×s | [220.66; 454.10] |
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 | -1.47373e+01 | |||
| Coefficient B | 2.79737e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 220.66 | |||
| Temperature range, max. | 454.10 | |||
| η | 0.1274533 | Pa×s | 220.66 | Calculated Property |
| η | 0.0335933 | Pa×s | 246.60 | Calculated Property |
| η | 0.0114125 | Pa×s | 272.54 | Calculated Property |
| η | 0.0046774 | Pa×s | 298.47 | Calculated Property |
| η | 0.0022109 | Pa×s | 324.41 | Calculated Property |
| η | 0.0011677 | Pa×s | 350.35 | Calculated Property |
| η | 0.0006734 | Pa×s | 376.29 | Calculated Property |
| η | 0.0004170 | Pa×s | 402.22 | Calculated Property |
| η | 0.0002736 | Pa×s | 428.16 | Calculated Property |
| η | 0.0001884 | Pa×s | 454.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Oct-5-en-3-ol.
Sources
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