- InChI
- InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3
- InChI Key
- PERIHWAPLOBAJM-UHFFFAOYSA-N
- Formula
- C12H24O
- SMILES
- CCCCCCCCCC(=O)CC
- Molecular Weight1
- 184.32
- CAS
- 1534-27-6
- Other Names
-
- 3-Decanone
- Dodecanone-(3)
- Ethyl nonyl ketone
- dodecan-3-one
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -78.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 4.106 | Crippen Calculated Property | |
| McVol | 181.510 | ml/mol | McGowan Calculated Property |
| Pc | 1878.90 | kPa | Joback Calculated Property |
| Inp | 1387.00 | NIST | |
| I | 1655.00 | NIST | |
| Tboil | 527.83 | K | Joback Calculated Property |
| Tc | 698.01 | K | Joback Calculated Property |
| Tfus | 274.93 | K | Joback Calculated Property |
| Vc | 0.714 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.30; 522.54] | J/mol×K | [527.83; 698.01] | 
|
| Cp,gas | 436.30 | J/mol×K | 527.83 | Joback Calculated Property |
| Cp,gas | 452.25 | J/mol×K | 556.19 | Joback Calculated Property |
| Cp,gas | 467.55 | J/mol×K | 584.56 | Joback Calculated Property |
| Cp,gas | 482.21 | J/mol×K | 612.92 | Joback Calculated Property |
| Cp,gas | 496.25 | J/mol×K | 641.28 | Joback Calculated Property |
| Cp,gas | 509.69 | J/mol×K | 669.65 | Joback Calculated Property |
| Cp,gas | 522.54 | J/mol×K | 698.01 | Joback Calculated Property |
| η | [0.0002319; 0.0043838] | Pa×s | [274.93; 527.83] |
|
| η | 0.0043838 | Pa×s | 274.93 | Joback Calculated Property |
| η | 0.0019395 | Pa×s | 317.08 | Joback Calculated Property |
| η | 0.0010391 | Pa×s | 359.23 | Joback Calculated Property |
| η | 0.0006347 | Pa×s | 401.38 | Joback Calculated Property |
| η | 0.0004257 | Pa×s | 443.53 | Joback Calculated Property |
| η | 0.0003061 | Pa×s | 485.68 | Joback Calculated Property |
| η | 0.0002319 | Pa×s | 527.83 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [391.64; 546.51] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52621e+01 | |||
| Coefficient B | -4.59344e+03 | |||
| Coefficient C | -8.48900e+01 | |||
| Temperature range, min. | 391.64 | |||
| Temperature range, max. | 546.51 | |||
| Pvap | 1.33 | kPa | 391.64 | Calculated Property |
| Pvap | 2.95 | kPa | 408.85 | Calculated Property |
| Pvap | 6.04 | kPa | 426.06 | Calculated Property |
| Pvap | 11.53 | kPa | 443.26 | Calculated Property |
| Pvap | 20.74 | kPa | 460.47 | Calculated Property |
| Pvap | 35.43 | kPa | 477.68 | Calculated Property |
| Pvap | 57.89 | kPa | 494.89 | Calculated Property |
| Pvap | 90.90 | kPa | 512.09 | Calculated Property |
| Pvap | 137.85 | kPa | 529.30 | Calculated Property |
| Pvap | 202.64 | kPa | 546.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Dodecanone.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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