- 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
- 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.
- Ip : 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 | 0.6257 | Relay (1.0) Calculated Property | |
| ΔfG° | -78.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.106 | Crippen Calculated Property | |
| McVol | 181.510 | ml/mol | McGowan Calculated Property |
| Pc | 1878.90 | kPa | Joback Calculated Property |
| ρc | 245.14 ± 7.37 | kg/m3 | NIST |
| Inp | [1368.00; 1396.00] |
|
|
| Inp | 1387.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1387.00 | NIST | |
| Ip | [1655.00; 1655.00] |
|
|
| Ip | 1655.00 | NIST | |
| Ip | 1655.00 | NIST | |
| Tboil | 512.62 | K | Relay (1.0) Calculated Property |
| Tc | [700.70; 701.00] | K |
|
| Tc | 701.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 700.70 ± 1.50 | K | NIST |
| Tfus | [291.65; 293.50] | K |
|
| Tfus | 291.65 ± 2.00 | K | NIST |
| Tfus | 293.50 ± 2.50 | K | NIST |
| Tfus | 292.15 ± 2.00 | K | NIST |
| Vc | 0.752 | 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 | 407.20 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.97; 627.44] | 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 | -6.61000e-01 | |||
| Coefficient B | 1.11584e+00 | |||
| Coefficient C | -6.10300e-04 | |||
| Coefficient D | 1.22560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 260.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 323.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 429.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 473.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 513.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 547.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 578.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 604.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 627.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030366; 0.0002956] | Pa×s | [292.43; 490.59] |
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 | -1.15643e+01 | |||
| Coefficient B | 1.68655e+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. | 292.43 | |||
| Temperature range, max. | 490.59 | |||
| η | 0.0030366 | Pa×s | 292.43 | Calculated Property |
| η | 0.0020277 | Pa×s | 314.45 | Calculated Property |
| η | 0.0014275 | Pa×s | 336.47 | Calculated Property |
| η | 0.0010493 | Pa×s | 358.49 | Calculated Property |
| η | 0.0007992 | Pa×s | 380.51 | Calculated Property |
| η | 0.0006271 | Pa×s | 402.52 | Calculated Property |
| η | 0.0005046 | Pa×s | 424.54 | Calculated Property |
| η | 0.0004149 | Pa×s | 446.56 | Calculated Property |
| η | 0.0003474 | Pa×s | 468.58 | Calculated Property |
| η | 0.0002956 | Pa×s | 490.59 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [391.64; 546.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- 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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