- InChI
- InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h7,9H,3-6H2,1-2H3
- InChI Key
- BNHJODMDMOKFFL-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCCC(=O)C(C)O
- Molecular Weight1
- 144.21
- 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).
- Ip : 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 | 0.6375 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.517 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Ip | [1647.00; 1647.00] |
|
|
| Ip | 1647.00 | NIST | |
| Ip | 1647.00 | NIST | |
| Tboil | 460.21 | K | Relay (1.0) Calculated Property |
| Tc | 656.74 | K | Relay (1.0) Calculated Property |
| Tfus | 317.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.492 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.30; 440.28] | 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 | 6.58400e+00 | |||
| Coefficient B | 7.75740e-01 | |||
| Coefficient C | -4.26300e-04 | |||
| Coefficient D | 8.42600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 270.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 304.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 335.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 362.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 386.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 406.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 424.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 440.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0284980; 0.0002186] | Pa×s | [275.67; 490.28] |
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 | -1.46847e+01 | |||
| Coefficient B | 3.06732e+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. | 275.67 | |||
| Temperature range, max. | 490.28 | |||
| η | 0.0284980 | Pa×s | 275.67 | Calculated Property |
| η | 0.0117515 | Pa×s | 299.52 | Calculated Property |
| η | 0.0055222 | Pa×s | 323.36 | Calculated Property |
| η | 0.0028786 | Pa×s | 347.21 | Calculated Property |
| η | 0.0016316 | Pa×s | 371.05 | Calculated Property |
| η | 0.0009904 | Pa×s | 394.90 | Calculated Property |
| η | 0.0006364 | Pa×s | 418.75 | Calculated Property |
| η | 0.0004289 | Pa×s | 442.59 | Calculated Property |
| η | 0.0003009 | Pa×s | 466.44 | Calculated Property |
| η | 0.0002186 | Pa×s | 490.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-octanon-2-ol.
Sources
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