- InChI
- InChI=1S/C9H18O2/c1-3-4-5-6-7-9(11)8(2)10/h9,11H,3-7H2,1-2H3
- InChI Key
- UUTYZPOOFRWUJV-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCCC(O)C(C)=O
- Molecular Weight1
- 158.24
- 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 | 0.6853 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.907 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Ip | [1768.00; 1768.00] |
|
|
| Ip | 1768.00 | NIST | |
| Ip | 1768.00 | NIST | |
| Tboil | 488.02 | K | Relay (1.0) Calculated Property |
| Tc | 684.97 | K | Relay (1.0) Calculated Property |
| Tfus | 306.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.52; 491.88] | 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 | 5.67500e+00 | |||
| Coefficient B | 8.70740e-01 | |||
| Coefficient C | -4.80700e-04 | |||
| Coefficient D | 9.61600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 209.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 301.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 339.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 374.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 404.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 431.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 454.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 474.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 491.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0229838; 0.0001963] | Pa×s | [286.94; 505.42] |
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 | -1.47909e+01 | |||
| Coefficient B | 3.16148e+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. | 286.94 | |||
| Temperature range, max. | 505.42 | |||
| η | 0.0229838 | Pa×s | 286.94 | Calculated Property |
| η | 0.0097314 | Pa×s | 311.22 | Calculated Property |
| η | 0.0046660 | Pa×s | 335.49 | Calculated Property |
| η | 0.0024706 | Pa×s | 359.77 | Calculated Property |
| η | 0.0014176 | Pa×s | 384.04 | Calculated Property |
| η | 0.0008690 | Pa×s | 408.32 | Calculated Property |
| η | 0.0005627 | Pa×s | 432.59 | Calculated Property |
| η | 0.0003817 | Pa×s | 456.87 | Calculated Property |
| η | 0.0002692 | Pa×s | 481.15 | Calculated Property |
| η | 0.0001963 | Pa×s | 505.42 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-nonanon-3-ol.
Sources
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