- InChI
- InChI=1S/C10H20O/c1-4-7-8-10(11)9(5-2)6-3/h9H,4-8H2,1-3H3
- InChI Key
- XIQNUWMKJWNUCQ-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CCCCC(=O)C(CC)CC
- Molecular Weight1
- 156.27
- CAS
- 19781-29-4
- 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).
- 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 | 0.4850 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.182 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2252.53 | kPa | Joback Calculated Property |
| Tboil | 458.13 | K | Relay (1.0) Calculated Property |
| Tc | 649.51 | K | Relay (1.0) Calculated Property |
| Tfus | 226.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.23; 524.80] | 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 | -5.25000e-01 | |||
| Coefficient B | 9.31760e-01 | |||
| Coefficient C | -5.04700e-04 | |||
| Coefficient D | 9.82600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 218.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 359.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 396.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 429.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 458.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 483.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 505.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 524.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0067728; 0.0002940] | Pa×s | [237.39; 460.80] |
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 | -1.14654e+01 | |||
| Coefficient B | 1.53605e+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. | 237.39 | |||
| Temperature range, max. | 460.80 | |||
| η | 0.0067728 | Pa×s | 237.39 | Calculated Property |
| η | 0.0036706 | Pa×s | 262.21 | Calculated Property |
| η | 0.0022117 | Pa×s | 287.04 | Calculated Property |
| η | 0.0014445 | Pa×s | 311.86 | Calculated Property |
| η | 0.0010047 | Pa×s | 336.68 | Calculated Property |
| η | 0.0007345 | Pa×s | 361.51 | Calculated Property |
| η | 0.0005590 | Pa×s | 386.33 | Calculated Property |
| η | 0.0004397 | Pa×s | 411.15 | Calculated Property |
| η | 0.0003554 | Pa×s | 435.97 | Calculated Property |
| η | 0.0002940 | Pa×s | 460.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-4-octanone.
Sources
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