- InChI
- InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
- InChI Key
- LSKONYYRONEBKA-UHFFFAOYSA-N
- Formula
- C12H24O
- SMILES
- CCCCCCCCCCC(C)=O
- Molecular Weight1
- 184.32
- CAS
- 6175-49-1
- Other Names
-
- Dodecan-2-one
- Dodecanone-(2)
- Methyl decyl ketone
- decyl methyl ketone
- ω : Acentric Factor.
- 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).
- ΔfH°liquid : Liquid phase 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.
- Ip : 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 |
|---|---|---|---|
| ω | 0.6448 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -7676.00 ± 1.70 | kJ/mol | NIST |
| ΔfG° | -78.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.30 ± 2.50 | kJ/mol | NIST |
| ΔfH°liquid | -476.10 ± 2.40 | kJ/mol | NIST |
| ΔfusH° | 39.48 | kJ/mol | Measurements, Correlations, and Mod. UNIFAC (Do) Prediction of (Solid-Liquid) Phase Equilibria Diagrams in Binary Systems (Aliphatic Ketone + an Alcohol) |
| ΔvapH° | [71.80; 71.83] | kJ/mol |
|
| ΔvapH° | 71.83 | kJ/mol | NIST |
| ΔvapH° | 71.83 ± 0.64 | kJ/mol | NIST |
| ΔvapH° | 71.80 ± 0.60 | kJ/mol | NIST |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | 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 | [1345.00; 1410.00] |
|
|
| Inp | 1394.30 | NIST | |
| Inp | 1383.80 | NIST | |
| Inp | 1382.10 | NIST | |
| Inp | 1366.50 | NIST | |
| Inp | 1392.90 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | Outlier 1348.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1373.00 | NIST | |
| Inp | 1378.00 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1384.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Inp | 1380.00 | NIST | |
| Inp | 1401.00 | NIST | |
| Inp | Outlier 1345.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Inp | 1389.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1373.00 | NIST | |
| Inp | 1389.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Inp | 1404.00 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1404.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Inp | 1370.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1395.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Inp | 1373.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Ip | [1674.00; 1711.00] |
|
|
| Ip | 1697.00 | NIST | |
| Ip | 1704.00 | NIST | |
| Ip | 1692.00 | NIST | |
| Ip | 1704.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Ip | 1711.00 | NIST | |
| Ip | 1692.00 | NIST | |
| Ip | 1708.00 | NIST | |
| Ip | 1709.00 | NIST | |
| Ip | Outlier 1674.00 | NIST | |
| Ip | 1688.00 | NIST | |
| Ip | 1698.00 | NIST | |
| Ip | 1688.00 | NIST | |
| Ip | 1698.00 | NIST | |
| Ip | 1692.00 | NIST | |
| Ip | 1698.00 | NIST | |
| Ip | 1697.00 | NIST | |
| Tboil | [518.15; 519.65] | K |
|
| Tboil | 519.65 ± 2.00 | K | NIST |
| Tboil | 518.15 ± 2.00 | K | NIST |
| Tboil | 519.65 ± 2.00 | K | NIST |
| Tc | [702.00; 702.10] | K |
|
| Tc | 702.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 702.10 ± 2.70 | K | NIST |
| Tfus | 294.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.752 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [48.10; 61.10] | kJ/mol | [435.00; 497.50] |
|
| ΔvapH | 61.10 | kJ/mol | 435.00 | NIST |
| ΔvapH | 60.80 | kJ/mol | 497.50 | NIST |
| ΔvapH | 48.10 | kJ/mol | 497.50 | 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 | [0.0029361; 0.0002939] | Pa×s | [294.15; 491.43] |
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. | 294.15 | |||
| Temperature range, max. | 491.43 | |||
| η | 0.0029361 | Pa×s | 294.15 | Calculated Property |
| η | 0.0019728 | Pa×s | 316.07 | Calculated Property |
| η | 0.0013957 | Pa×s | 337.99 | Calculated Property |
| η | 0.0010299 | Pa×s | 359.91 | Calculated Property |
| η | 0.0007870 | Pa×s | 381.83 | Calculated Property |
| η | 0.0006192 | Pa×s | 403.75 | Calculated Property |
| η | 0.0004993 | Pa×s | 425.67 | Calculated Property |
| η | 0.0004113 | Pa×s | 447.59 | Calculated Property |
| η | 0.0003449 | Pa×s | 469.51 | Calculated Property |
| η | 0.0002939 | Pa×s | 491.43 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [393.38; 550.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51720e+01 | |||
| Coefficient B | -4.58012e+03 | |||
| Coefficient C | -8.56680e+01 | |||
| Temperature range, min. | 393.38 | |||
| Temperature range, max. | 550.16 | |||
| Pvap | 1.33 | kPa | 393.38 | Calculated Property |
| Pvap | 2.96 | kPa | 410.80 | Calculated Property |
| Pvap | 6.06 | kPa | 428.22 | Calculated Property |
| Pvap | 11.57 | kPa | 445.64 | Calculated Property |
| Pvap | 20.82 | kPa | 463.06 | Calculated Property |
| Pvap | 35.56 | kPa | 480.48 | Calculated Property |
| Pvap | 58.06 | kPa | 497.90 | Calculated Property |
| Pvap | 91.10 | kPa | 515.32 | Calculated Property |
| Pvap | 138.01 | kPa | 532.74 | Calculated Property |
| Pvap | 202.66 | kPa | 550.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Dodecanone.
Mixtures
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
- Measurements, Correlations, and Mod. UNIFAC (Do) Prediction of (Solid-Liquid) Phase Equilibria Diagrams in Binary Systems (Aliphatic Ketone + an Alcohol)
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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