- InChI
- InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h8H,2-7H2,1H3
- InChI Key
- MGOKSQNXXRPCMD-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CCCCCC(=O)CCC=O
- Molecular Weight1
- 156.23
- 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.
- 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 | 0.5599 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.115 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Inp | [1200.00; 1203.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | 1203.00 | NIST | |
| Tboil | 491.46 | K | Relay (1.0) Calculated Property |
| Tc | 680.44 | K | Relay (1.0) Calculated Property |
| Tfus | 293.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.24; 463.45] | 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 | 1.34660e+01 | |||
| Coefficient B | 8.05320e-01 | |||
| Coefficient C | -4.40100e-04 | |||
| Coefficient D | 8.47600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 202.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 287.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 355.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 383.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 407.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 429.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 447.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 463.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041401; 0.0004060] | Pa×s | [283.12; 481.30] |
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 | -1.11267e+01 | |||
| Coefficient B | 1.59670e+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. | 283.12 | |||
| Temperature range, max. | 481.30 | |||
| η | 0.0041401 | Pa×s | 283.12 | Calculated Property |
| η | 0.0027559 | Pa×s | 305.14 | Calculated Property |
| η | 0.0019378 | Pa×s | 327.16 | Calculated Property |
| η | 0.0014244 | Pa×s | 349.18 | Calculated Property |
| η | 0.0010860 | Pa×s | 371.20 | Calculated Property |
| η | 0.0008535 | Pa×s | 393.22 | Calculated Property |
| η | 0.0006882 | Pa×s | 415.24 | Calculated Property |
| η | 0.0005670 | Pa×s | 437.26 | Calculated Property |
| η | 0.0004760 | Pa×s | 459.28 | Calculated Property |
| η | 0.0004060 | Pa×s | 481.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Oxononanal.
Sources
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