- InChI
- InChI=1S/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3
- InChI Key
- MKJDUHZPLQYUCB-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CCCCCCC(=O)CCC
- Molecular Weight1
- 156.27
- CAS
- 624-16-8
- Other Names
-
- Hexyl propyl ketone
- Propyl hexyl ketone
- decan-1-oyl chloride
- n-Propyl n-hexyl ketone
- 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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5526 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.326 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| ρc | 248.46 ± 6.25 | kg/m3 | NIST |
| Inp | [1111.00; 1163.00] |
|
|
| Inp | 1161.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1113.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Tboil | [479.00; 479.70] | K |
|
| Tboil | 479.70 | K | NIST |
| Tboil | 479.00 ± 5.00 | K | NIST |
| Tc | [662.90; 662.90] | K |
|
| Tc | 662.90 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 662.90 ± 0.50 | K | NIST |
| Tfus | [263.90; 264.15] | K |
|
| Tfus | 264.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 263.90 ± 4.00 | K | NIST |
| Vc | 0.628 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.20 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.54; 524.26] | 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 | 1.15700e+00 | |||
| Coefficient B | 9.25840e-01 | |||
| Coefficient C | -5.01500e-04 | |||
| Coefficient D | 9.87600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 218.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 358.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 395.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 428.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 457.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 483.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 505.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 524.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034935; 0.0003027] | Pa×s | [264.02; 464.03] |
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 | -1.13314e+01 | |||
| Coefficient B | 1.49823e+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. | 264.02 | |||
| Temperature range, max. | 464.03 | |||
| η | 0.0034935 | Pa×s | 264.02 | Calculated Property |
| η | 0.0022487 | Pa×s | 286.25 | Calculated Property |
| η | 0.0015423 | Pa×s | 308.47 | Calculated Property |
| η | 0.0011128 | Pa×s | 330.69 | Calculated Property |
| η | 0.0008366 | Pa×s | 352.92 | Calculated Property |
| η | 0.0006506 | Pa×s | 375.14 | Calculated Property |
| η | 0.0005204 | Pa×s | 397.36 | Calculated Property |
| η | 0.0004262 | Pa×s | 419.58 | Calculated Property |
| η | 0.0003561 | Pa×s | 441.81 | Calculated Property |
| η | 0.0003027 | Pa×s | 464.03 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [361.22; 508.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50989e+01 | |||
| Coefficient B | -4.24681e+03 | |||
| Coefficient C | -7.44930e+01 | |||
| Temperature range, min. | 361.22 | |||
| Temperature range, max. | 508.40 | |||
| Pvap | 1.33 | kPa | 361.22 | Calculated Property |
| Pvap | 2.96 | kPa | 377.57 | Calculated Property |
| Pvap | 6.07 | kPa | 393.93 | Calculated Property |
| Pvap | 11.61 | kPa | 410.28 | Calculated Property |
| Pvap | 20.88 | kPa | 426.63 | Calculated Property |
| Pvap | 35.66 | kPa | 442.99 | Calculated Property |
| Pvap | 58.20 | kPa | 459.34 | Calculated Property |
| Pvap | 91.25 | kPa | 475.69 | Calculated Property |
| Pvap | 138.13 | kPa | 492.05 | Calculated Property |
| Pvap | 202.66 | kPa | 508.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Decanone.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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