- InChI
- InChI=1S/C8H14O2/c1-2-3-5-8(10)6-4-7-9/h7H,2-6H2,1H3
- InChI Key
- JWSDUZPHHXIUBR-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CCCCC(=O)CCC=O
- Molecular Weight1
- 142.20
- 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 | 0.5214 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.725 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2925.00 | kPa | Joback Calculated Property |
| Inp | [1099.00; 1100.00] |
|
|
| Inp | 1099.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1099.00 | NIST | |
| Tboil | 474.06 | K | Relay (1.0) Calculated Property |
| Tc | 661.03 | K | Relay (1.0) Calculated Property |
| Tfus | 286.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.03; 411.85] | 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 | 1.43750e+01 | |||
| Coefficient B | 7.10320e-01 | |||
| Coefficient C | -3.85700e-04 | |||
| Coefficient D | 7.28600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 256.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 287.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 316.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 341.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 362.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 381.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 398.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 411.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041085; 0.0004093] | Pa×s | [271.85; 466.51] |
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 | -1.10218e+01 | |||
| Coefficient B | 1.50254e+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. | 271.85 | |||
| Temperature range, max. | 466.51 | |||
| η | 0.0041085 | Pa×s | 271.85 | Calculated Property |
| η | 0.0027339 | Pa×s | 293.48 | Calculated Property |
| η | 0.0019238 | Pa×s | 315.11 | Calculated Property |
| η | 0.0014163 | Pa×s | 336.74 | Calculated Property |
| η | 0.0010819 | Pa×s | 358.36 | Calculated Property |
| η | 0.0008522 | Pa×s | 379.99 | Calculated Property |
| η | 0.0006888 | Pa×s | 401.62 | Calculated Property |
| η | 0.0005689 | Pa×s | 423.25 | Calculated Property |
| η | 0.0004787 | Pa×s | 444.88 | Calculated Property |
| η | 0.0004093 | Pa×s | 466.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-oxooctanal.
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