- InChI
- InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
- InChI Key
- HXVNBWAKAOHACI-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CC(C)C(=O)C(C)C
- Molecular Weight1
- 114.19
- CAS
- 565-80-0
- Other Names
-
- (iso-C3H7)2CO
- 2,4-Dimethylpentan-3-one
- 2,4-dimethyl-3-pentanone
- 2,4-dimethyl-3-pentanone (diisopropyl ketone)
- Isobutyrone
- Isopropyl ketone
- diisopropyl ketone
- isobutyron
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.4000; 0.4044] |
|
|
| ω | 0.4000 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.4044 | ChemSep v8.3 pure component data Compiled value | |
| PAff | 850.30 | kJ/mol | NIST |
| BasG | 820.50 | kJ/mol | NIST |
| ΔcH°liquid | -4402.50 ± 1.10 | kJ/mol | NIST |
| μ | 2.73 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | -123.70 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | [-316.00; -311.30] | kJ/mol |
|
| ΔfH°gas | -316.00 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -311.30 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -352.90 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 8.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.50; 41.60] | kJ/mol |
|
| ΔvapH° | 41.55 ± 0.07 | kJ/mol | NIST |
| ΔvapH° | 41.60 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 41.50 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 41.50 ± 0.08 | kJ/mol | NIST |
| IE | [8.94; 8.99] | eV |
|
| IE | 8.96 ± 0.02 | eV | NIST |
| IE | 8.95 ± 0.01 | eV | NIST |
| IE | 8.94 ± 0.01 | eV | NIST |
| IE | 8.99 ± 0.04 | eV | NIST |
| IE | 8.96 ± 0.01 | eV | NIST |
| log10WS | [-1.30; -1.30] |
|
|
| log10WS | -1.30 | Aq. Solubility Prediction | |
| log10WS | -1.30 | Estimated Solubility | |
| logPoct/wat | 1.868 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | [3380.00; 3384.26] | kPa |
|
| Pc | 3384.26 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3380.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 8.21e-04 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [123.88; 821.00] |
|
|
| Inp | 779.00 | NIST | |
| Inp | 783.11 | NIST | |
| Inp | 776.47 | NIST | |
| Inp | 777.67 | NIST | |
| Inp | 779.36 | NIST | |
| Inp | 781.05 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 781.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | 768.00 | NIST | |
| Inp | 756.00 | NIST | |
| Inp | 749.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 749.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | Outlier 123.88 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 779.00 | NIST | |
| Inp | 781.05 | NIST | |
| Inp | 742.00 | NIST | |
| Ip | [995.00; 1048.00] |
|
|
| Ip | 1033.20 | NIST | |
| Ip | 1014.80 | NIST | |
| Ip | 1020.80 | NIST | |
| Ip | 1026.90 | NIST | |
| Ip | 1048.00 | NIST | |
| Ip | 1007.00 | NIST | |
| Ip | 1007.00 | NIST | |
| Ip | 1011.00 | NIST | |
| Ip | 1007.00 | NIST | |
| Ip | 1011.00 | NIST | |
| Ip | 1041.00 | NIST | |
| Ip | 1000.00 | NIST | |
| Ip | 995.00 | NIST | |
| Ip | 1007.00 | NIST | |
| Ip | 1033.20 | NIST | |
| Ip | 1041.00 | NIST | |
| Ip | 1048.00 | NIST | |
| Ip | 1011.00 | NIST | |
| S°liquid | 318.00 | J/mol×K | NIST |
| Tboil | [396.15; 403.15] | K |
|
| Tboil | 397.50 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 397.70 | K | NIST |
| Tboil | 397.00 ± 0.50 | K | NIST |
| Tboil | 397.00 ± 0.30 | K | NIST |
| Tboil | 396.65 ± 2.00 | K | NIST |
| Tboil | 398.45 ± 2.00 | K | NIST |
| Tboil | 398.15 ± 5.00 | K | NIST |
| Tboil | 397.15 ± 5.00 | K | NIST |
| Tboil | 396.20 ± 2.00 | K | NIST |
| Tboil | 396.15 ± 2.00 | K | NIST |
| Tboil | 398.40 ± 1.00 | K | NIST |
| Tboil | 397.80 ± 0.20 | K | NIST |
| Tboil | 397.15 ± 2.00 | K | NIST |
| Tboil | 398.15 ± 2.00 | K | NIST |
| Tboil | 398.65 ± 2.00 | K | NIST |
| Tboil | 396.15 ± 2.00 | K | NIST |
| Tboil | 399.15 ± 2.00 | K | NIST |
| Tboil | 397.21 ± 2.00 | K | NIST |
| Tboil | 397.15 ± 2.00 | K | NIST |
| Tboil | 396.65 ± 2.00 | K | NIST |
| Tboil | 396.15 ± 2.00 | K | NIST |
| Tboil | 398.60 ± 2.00 | K | NIST |
| Tboil | 396.65 ± 2.00 | K | NIST |
| Tboil | Outlier 400.15 ± 2.00 | K | NIST |
| Tboil | 398.15 ± 2.00 | K | NIST |
| Tboil | 396.65 ± 2.00 | K | NIST |
| Tboil | 397.35 ± 2.00 | K | NIST |
| Tboil | 397.75 ± 2.00 | K | NIST |
| Tboil | 398.00 ± 2.00 | K | NIST |
| Tboil | 398.15 ± 2.00 | K | NIST |
| Tboil | 397.65 ± 2.00 | K | NIST |
| Tboil | 396.15 ± 2.00 | K | NIST |
| Tboil | 397.15 ± 2.00 | K | NIST |
| Tboil | 396.90 ± 2.00 | K | NIST |
| Tboil | 396.90 ± 2.00 | K | NIST |
| Tboil | 397.15 ± 2.00 | K | NIST |
| Tboil | 398.15 ± 2.00 | K | NIST |
| Tboil | 398.15 ± 2.00 | K | NIST |
| Tboil | Outlier 403.15 ± 2.00 | K | NIST |
| Tc | [582.00; 582.00] | K |
|
| Tc | 582.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 582.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | [193.00; 204.15] | K |
|
| Tfus | 204.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 204.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 193.00 ± 6.00 | K | NIST |
| Tfus | 204.12 ± 0.05 | K | NIST |
| Ttriple | [204.81; 204.81] | K |
|
| Ttriple | 204.81 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 204.81 ± 0.07 | K | NIST |
| Ttriple | 204.81 ± 0.07 | K | NIST |
| UQi | 4.57 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.05 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.415; 0.416] | m3/kmol |
|
| Vc | 0.415 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.416 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2620000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.28 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 233.70 | J/mol×K | 298.15 | NIST |
| ΔfusH | [11.18; 11.20] | kJ/mol | [204.80; 204.81] |
|
| ΔfusH | 11.20 | kJ/mol | 204.80 | NIST |
| ΔfusH | 11.20 | kJ/mol | 204.80 | NIST |
| ΔfusH | 11.18 | kJ/mol | 204.81 | NIST |
| ΔfusH | 11.18 | kJ/mol | 204.81 | NIST |
| ΔvapH | 39.40 | kJ/mol | 360.00 | NIST |
| n0 | 1.39740 | 298.15 | Isothermal (vapour + liquid) equilibria in the binary and ternary systems composed of 2-propanol, 2,2,4-trimethylpentane, and 2,4-dimethyl-3-pentanone | |
| ΔfusS | [54.58; 54.58] | J/mol×K | [204.81; 204.81] |
|
| ΔfusS | 54.58 | J/mol×K | 204.81 | NIST |
| ΔfusS | 54.58 | J/mol×K | 204.81 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [101.31; 430.97] | J/mol×K | [204.81; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.00640e+01 | |||
| Coefficient B | -5.02120e+02 | |||
| Coefficient C | 6.14724e+00 | |||
| Coefficient D | 1.24980e-04 | |||
| Coefficient E | -3.73430e-08 | |||
| Temperature range, min. | 204.81 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 101.31 | J/mol×K | 204.81 | Calculated Property |
| Cp,gas | 175.23 | J/mol×K | 348.72 | Calculated Property |
| Cp,gas | 237.83 | J/mol×K | 492.63 | Calculated Property |
| Cp,gas | 286.59 | J/mol×K | 636.54 | Calculated Property |
| Cp,gas | 324.78 | J/mol×K | 780.45 | Calculated Property |
| Cp,gas | 355.26 | J/mol×K | 924.36 | Calculated Property |
| Cp,gas | 380.00 | J/mol×K | 1068.27 | Calculated Property |
| Cp,gas | 400.30 | J/mol×K | 1212.18 | Calculated Property |
| Cp,gas | 417.08 | J/mol×K | 1356.09 | Calculated Property |
| Cp,gas | 430.97 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [207.91; 280.95] | J/mol×K | [204.81; 410.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 1.80230e+02 | |||
| Coefficient B | -5.11290e+01 | |||
| Coefficient C | 1.76094e+00 | |||
| Coefficient D | 1.04070e-02 | |||
| Coefficient E | -7.67860e-06 | |||
| Temperature range, min. | 204.81 | |||
| Temperature range, max. | 410.00 | |||
| Cp,liquid | 207.91 | J/mol×K | 204.81 | Calculated Property |
| Cp,liquid | 213.59 | J/mol×K | 227.61 | Calculated Property |
| Cp,liquid | 219.93 | J/mol×K | 250.41 | Calculated Property |
| Cp,liquid | 226.94 | J/mol×K | 273.21 | Calculated Property |
| Cp,liquid | 234.61 | J/mol×K | 296.01 | Calculated Property |
| Cp,liquid | 242.90 | J/mol×K | 318.80 | Calculated Property |
| Cp,liquid | 251.77 | J/mol×K | 341.60 | Calculated Property |
| Cp,liquid | 261.14 | J/mol×K | 364.40 | Calculated Property |
| Cp,liquid | 270.91 | J/mol×K | 387.20 | Calculated Property |
| Cp,liquid | 280.95 | J/mol×K | 410.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045364; 0.0001409] | Pa×s | [204.81; 473.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -5.64050e+00 | |||
| Coefficient B | 1.12970e+03 | |||
| Coefficient C | -1.01220e+00 | |||
| Coefficient D | 2.76650e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 204.81 | |||
| Temperature range, max. | 473.00 | |||
| η | 0.0045364 | Pa×s | 204.81 | Calculated Property |
| η | 0.0020345 | Pa×s | 234.61 | Calculated Property |
| η | 0.0010917 | Pa×s | 264.41 | Calculated Property |
| η | 0.0006656 | Pa×s | 294.21 | Calculated Property |
| η | 0.0004462 | Pa×s | 324.01 | Calculated Property |
| η | 0.0003218 | Pa×s | 353.80 | Calculated Property |
| η | 0.0002459 | Pa×s | 383.60 | Calculated Property |
| η | 0.0001969 | Pa×s | 413.40 | Calculated Property |
| η | 0.0001639 | Pa×s | 443.20 | Calculated Property |
| η | 0.0001409 | Pa×s | 473.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [43.52; 7.22] | kJ/mol | [204.81; 576.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 8.20546e+01 | |||
| Coefficient B | 3.80288e+00 | |||
| Coefficient C | -9.83224e+00 | |||
| Coefficient D | 1.03841e+01 | |||
| Coefficient E | -3.82912e+00 | |||
| Critical temperature, Tc (K) | 5.82000e+02 | |||
| Temperature range, min. | 204.81 | |||
| Temperature range, max. | 576.00 | |||
| ΔvapH | 43.52 | kJ/mol | 204.81 | Calculated Property |
| ΔvapH | 42.14 | kJ/mol | 246.05 | Calculated Property |
| ΔvapH | 41.01 | kJ/mol | 287.30 | Calculated Property |
| ΔvapH | 39.72 | kJ/mol | 328.54 | Calculated Property |
| ΔvapH | 37.90 | kJ/mol | 369.78 | Calculated Property |
| ΔvapH | 35.26 | kJ/mol | 411.03 | Calculated Property |
| ΔvapH | 31.58 | kJ/mol | 452.27 | Calculated Property |
| ΔvapH | 26.63 | kJ/mol | 493.51 | Calculated Property |
| ΔvapH | 19.85 | kJ/mol | 534.76 | Calculated Property |
| ΔvapH | 7.22 | kJ/mol | 576.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [295.54; 422.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49262e+01 | |||
| Coefficient B | -3.56992e+03 | |||
| Coefficient C | -5.16690e+01 | |||
| Temperature range, min. | 295.54 | |||
| Temperature range, max. | 422.97 | |||
| Pvap | 1.33 | kPa | 295.54 | Calculated Property |
| Pvap | 2.98 | kPa | 309.70 | Calculated Property |
| Pvap | 6.11 | kPa | 323.86 | Calculated Property |
| Pvap | 11.69 | kPa | 338.02 | Calculated Property |
| Pvap | 21.04 | kPa | 352.18 | Calculated Property |
| Pvap | 35.91 | kPa | 366.33 | Calculated Property |
| Pvap | 58.53 | kPa | 380.49 | Calculated Property |
| Pvap | 91.63 | kPa | 394.65 | Calculated Property |
| Pvap | 138.43 | kPa | 408.81 | Calculated Property |
| Pvap | 202.66 | kPa | 422.97 | Calculated Property |
| Pvap | [3.92e-04; 3249.41] | kPa | [204.81; 580.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.00212e+02 | |||
| Coefficient B | -8.38570e+03 | |||
| Coefficient C | -1.26810e+01 | |||
| Coefficient D | 8.98230e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Temperature range, min. | 204.81 | |||
| Temperature range, max. | 580.00 | |||
| Pvap | 3.92e-04 | kPa | 204.81 | Calculated Property |
| Pvap | 0.05 | kPa | 246.50 | Calculated Property |
| Pvap | 1.04 | kPa | 288.19 | Calculated Property |
| Pvap | 9.35 | kPa | 329.87 | Calculated Property |
| Pvap | 46.57 | kPa | 371.56 | Calculated Property |
| Pvap | 158.08 | kPa | 413.25 | Calculated Property |
| Pvap | 415.25 | kPa | 454.94 | Calculated Property |
| Pvap | 916.59 | kPa | 496.62 | Calculated Property |
| Pvap | 1796.66 | kPa | 538.31 | Calculated Property |
| Pvap | 3249.41 | kPa | 580.00 | Calculated Property |
| Pvap | [6.28; 101.42] | kPa | [321.19; 398.40] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41247e+01 | |||
| Coefficient B | -3.24119e+03 | |||
| Coefficient C | -5.74160e+01 | |||
| Reference | Dreisbach and Shrader, 1949 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 321.19 | |||
| Temperature range, max. | 398.40 | |||
| Pvap | 6.28 | kPa | 321.19 | Calculated Property |
| Pvap | 9.24 | kPa | 329.77 | Calculated Property |
| Pvap | 13.30 | kPa | 338.35 | Calculated Property |
| Pvap | 18.71 | kPa | 346.93 | Calculated Property |
| Pvap | 25.83 | kPa | 355.51 | Calculated Property |
| Pvap | 35.01 | kPa | 364.08 | Calculated Property |
| Pvap | 46.68 | kPa | 372.66 | Calculated Property |
| Pvap | 61.29 | kPa | 381.24 | Calculated Property |
| Pvap | 79.36 | kPa | 389.82 | Calculated Property |
| Pvap | 101.42 | kPa | 398.40 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [870.35; 316.55] | kg/m3 | [204.81; 576.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 1.57496e+00 | |||
| Coefficient B | 3.98420e-02 | |||
| Coefficient C | 5.82000e+02 | |||
| Coefficient D | 9.56750e-02 | |||
| Temperature range, min. | 204.81 | |||
| Temperature range, max. | 576.00 | |||
| ρl | 870.35 | kg/m3 | 204.81 | Calculated Property |
| ρl | 841.20 | kg/m3 | 246.05 | Calculated Property |
| ρl | 809.77 | kg/m3 | 287.30 | Calculated Property |
| ρl | 775.50 | kg/m3 | 328.54 | Calculated Property |
| ρl | 737.57 | kg/m3 | 369.78 | Calculated Property |
| ρl | 694.70 | kg/m3 | 411.03 | Calculated Property |
| ρl | 644.69 | kg/m3 | 452.27 | Calculated Property |
| ρl | 583.14 | kg/m3 | 493.51 | Calculated Property |
| ρl | 498.49 | kg/m3 | 534.76 | Calculated Property |
| ρl | 316.55 | kg/m3 | 576.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.03; 1.34e-04] | N/m | [204.81; 576.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K | |||
| Coefficient A | -9.55360e-03 | |||
| Coefficient B | 6.90600e+01 | |||
| Coefficient C | -3.55760e+00 | |||
| Coefficient D | 1.45540e-03 | |||
| Coefficient E | -6.14110e-06 | |||
| Temperature range, min. | 204.81 | |||
| Temperature range, max. | 576.00 | |||
| γ | 0.03 | N/m | 204.81 | Calculated Property |
| γ | 0.03 | N/m | 246.05 | Calculated Property |
| γ | 0.02 | N/m | 287.30 | Calculated Property |
| γ | 0.02 | N/m | 328.54 | Calculated Property |
| γ | 0.02 | N/m | 369.78 | Calculated Property |
| γ | 0.01 | N/m | 411.03 | Calculated Property |
| γ | 0.01 | N/m | 452.27 | Calculated Property |
| γ | 0.01 | N/m | 493.51 | Calculated Property |
| γ | 0.00 | N/m | 534.76 | Calculated Property |
| γ | 1.34e-04 | N/m | 576.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.01; 0.13] | W/m×K | [204.81; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | -9.50760e+00 | |||
| Coefficient B | -7.21360e-03 | |||
| Coefficient C | 2.38080e+03 | |||
| Coefficient D | -7.25100e+07 | |||
| Temperature range, min. | 204.81 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.01 | W/m×K | 204.81 | Calculated Property |
| λgas | 0.01 | W/m×K | 293.16 | Calculated Property |
| λgas | 0.02 | W/m×K | 381.52 | Calculated Property |
| λgas | 0.03 | W/m×K | 469.87 | Calculated Property |
| λgas | 0.04 | W/m×K | 558.23 | Calculated Property |
| λgas | 0.05 | W/m×K | 646.58 | Calculated Property |
| λgas | 0.07 | W/m×K | 734.94 | Calculated Property |
| λgas | 0.09 | W/m×K | 823.29 | Calculated Property |
| λgas | 0.11 | W/m×K | 911.65 | Calculated Property |
| λgas | 0.13 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.17; 0.09] | W/m×K | [172.80; 460.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K | |||
| Coefficient A | -1.19550e-01 | |||
| Coefficient B | 2.06810e+01 | |||
| Coefficient C | -1.30340e+00 | |||
| Coefficient D | 5.10670e-06 | |||
| Coefficient E | -1.37640e-06 | |||
| Temperature range, min. | 172.80 | |||
| Temperature range, max. | 460.00 | |||
| λliquid | 0.17 | W/m×K | 172.80 | Calculated Property |
| λliquid | 0.16 | W/m×K | 204.71 | Calculated Property |
| λliquid | 0.16 | W/m×K | 236.62 | Calculated Property |
| λliquid | 0.15 | W/m×K | 268.53 | Calculated Property |
| λliquid | 0.14 | W/m×K | 300.44 | Calculated Property |
| λliquid | 0.13 | W/m×K | 332.36 | Calculated Property |
| λliquid | 0.12 | W/m×K | 364.27 | Calculated Property |
| λliquid | 0.11 | W/m×K | 396.18 | Calculated Property |
| λliquid | 0.10 | W/m×K | 428.09 | Calculated Property |
| λliquid | 0.09 | W/m×K | 460.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanone, 2,4-dimethyl-.
Mixtures
- 3-Pentanone, 2,4-dimethyl- + 2-Propanol
- 3-Pentanone, 2,4-dimethyl- + Pentane, 2,2,4-trimethyl-
- 3-Pentanone, 2,4-dimethyl- + 2-Propanol + Pentane, 2,2,4-trimethyl-
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).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Isothermal (vapour + liquid) equilibria in the binary and ternary systems composed of 2-propanol, 2,2,4-trimethylpentane, and 2,4-dimethyl-3-pentanone
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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