- InChI
- InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3
- InChI Key
- YWXLSHOWXZUMSR-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCCCC(=O)CCC
- Molecular Weight1
- 128.21
- CAS
- 589-63-9
- Other Names
-
- Butyl propyl ketone
- Propyl n-butyl ketone
- n-C4H9COCH2CH2CH3
- octan-4-one
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -5048.58 | kJ/mol | NIST |
| ΔfG° | -112.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.30 ± 2.80 | kJ/mol | NIST |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.10 ± 0.20 | kJ/mol | NIST |
| IE | 9.10 ± 0.05 | eV | NIST |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| ρc | 257.71 ± 2.56 | kg/m3 | NIST |
| Inp | [953.00; 984.00] |
|
|
| Inp | 953.00 | NIST | |
| Inp | 974.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 965.00 | NIST | |
| I | [1197.00; 1250.00] |
|
|
| I | 1236.00 | NIST | |
| I | 1224.00 | NIST | |
| I | 1197.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1197.00 | NIST | |
| Tboil | [436.00; 441.00] | K |
|
| Tboil | 439.00 ± 3.00 | K | NIST |
| Tboil | 436.00 ± 3.00 | K | NIST |
| Tboil | 441.00 ± 3.00 | K | NIST |
| Tboil | 436.00 ± 3.00 | K | NIST |
| Tboil | 441.00 ± 2.00 | K | NIST |
| Tboil | 440.00 ± 5.00 | K | NIST |
| Tc | 623.80 ± 0.20 | K | NIST |
| Tfus | 229.85 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.50; 323.31] | J/mol×K | [436.31; 611.72] |
|
| Cp,gas | 255.50 | J/mol×K | 436.31 | Joback Calculated Property |
| Cp,gas | 267.99 | J/mol×K | 465.55 | Joback Calculated Property |
| Cp,gas | 280.00 | J/mol×K | 494.78 | Joback Calculated Property |
| Cp,gas | 291.52 | J/mol×K | 524.02 | Joback Calculated Property |
| Cp,gas | 302.57 | J/mol×K | 553.25 | Joback Calculated Property |
| Cp,gas | 313.17 | J/mol×K | 582.49 | Joback Calculated Property |
| Cp,gas | 323.31 | J/mol×K | 611.72 | Joback Calculated Property |
| η | [0.0002948; 0.0043730] | Pa×s | [229.85; 436.31] |
|
| η | 0.0043730 | Pa×s | 229.85 | Joback Calculated Property |
| η | 0.0020821 | Pa×s | 264.26 | Joback Calculated Property |
| η | 0.0011762 | Pa×s | 298.67 | Joback Calculated Property |
| η | 0.0007477 | Pa×s | 333.08 | Joback Calculated Property |
| η | 0.0005173 | Pa×s | 367.49 | Joback Calculated Property |
| η | 0.0003813 | Pa×s | 401.90 | Joback Calculated Property |
| η | 0.0002948 | Pa×s | 436.31 | Joback Calculated Property |
| ΔvapH | 36.40 | kJ/mol | 360.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [326.42; 466.58] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47747e+01 | |||
| Coefficient B | -3.82488e+03 | |||
| Coefficient C | -6.24000e+01 | |||
| Temperature range, min. | 326.42 | |||
| Temperature range, max. | 466.58 | |||
| Pvap | 1.33 | kPa | 326.42 | Calculated Property |
| Pvap | 2.99 | kPa | 341.99 | Calculated Property |
| Pvap | 6.15 | kPa | 357.57 | Calculated Property |
| Pvap | 11.77 | kPa | 373.14 | Calculated Property |
| Pvap | 21.18 | kPa | 388.71 | Calculated Property |
| Pvap | 36.13 | kPa | 404.29 | Calculated Property |
| Pvap | 58.82 | kPa | 419.86 | Calculated Property |
| Pvap | 91.95 | kPa | 435.43 | Calculated Property |
| Pvap | 138.67 | kPa | 451.01 | Calculated Property |
| Pvap | 202.63 | kPa | 466.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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