- InChI
- InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
- InChI Key
- SWXVUIWOUIDPGS-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CC(=O)CC(C)(C)O
- Molecular Weight1
- 116.16
- CAS
- 123-42-2
- Other Names
-
- (CH3)2C(OH)CH2C(O)CH3
- 2-Methyl-2-pentanol-4-one
- 2-hydroxy-2-methyl-4-pentanone
- 4-Hydroxy-2-keto-4-methylpentane
- 4-Hydroxy-4-methyl-pentan-2-on
- 4-Hydroxy-4-methylpentanone-2
- 4-Idrossi-4-metil-pentan-2-one
- 4-Methyl-2-pentanon-4-ol
- 4-hydroxy-4-methyl-2-pentanone
- 4-hydroxy-4-methyl-pentanone
- 4-hydroxy-4-methylpentan-2-one
- 4-methyl-2-pentanone-4-ol
- 4-methyl-4-hydroxy-2-pentanone
- Acetonyldimethylcarbinol
- Diacetonalcohol
- Diacetonalcool
- Diacetonalkohol
- Diacetone
- Diacetone alcohol
- Diacetone-alcool
- Diketone alcohol
- NSC 9005
- Pyranton
- Pyranton A
- Pyraton
- Tyranton
- UN 1148
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- Tig : Autoignition Temperature (K).
- 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).
- εr : Dielectric Constant (Relative permittivity).
- Tflash,cc : Flash Point (Closed Cup Method) (K).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- 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.
- 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 | [0.7565; 0.7684] |
|
|
| ω | 0.7565 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.7684 | ChemSep v8.3 pure component data Compiled value | |
| PAff | 822.90 | kJ/mol | NIST |
| Tig | 876.15 | K | NCMS SOLV-DB |
| BasG | 791.10 | kJ/mol | NIST |
| ΔcH°liquid | -3483.30 ± 7.90 | kJ/mol | NIST |
| μ | 3.24 | debye | ChemSep v8.3 pure component data Compiled value |
| εr | 18.20 | NCMS SOLV-DB | |
| Tflash,cc | 331.15 | K | NCMS SOLV-DB |
| ΔfG° | -288.60 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | [-542.90; -540.70] | kJ/mol |
|
| ΔfH°gas | -542.90 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -540.70 | kJ/mol | NIST |
| ΔfH°liquid | -592.80 ± 7.70 | kJ/mol | NIST |
| ΔfusH° | 9.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.59; 52.13] | kJ/mol |
|
| ΔvapH° | 41.59 | kJ/mol | NCMS SOLV-DB |
| ΔvapH° | 52.13 | kJ/mol | NIST |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.098 | NCMS SOLV-DB | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | NCMS SOLV-DB | |
| NFPA Health | 1 | NCMS SOLV-DB | |
| NFPA Safety | 0 | NCMS SOLV-DB | |
| Pc | [3500.00; 3600.08] | kPa |
|
| Pc | 3600.08 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3500.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 3.01e-04 | kPa | ChemSep v8.3 pure component data Compiled value |
| Inp | [784.00; 851.00] |
|
|
| Inp | 798.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 836.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 841.30 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | 844.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | Outlier 784.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 820.00 | NIST | |
| Ip | [1316.00; 1396.00] |
|
|
| Ip | 1366.00 | NIST | |
| Ip | 1369.00 | NIST | |
| Ip | 1352.00 | NIST | |
| Ip | 1346.00 | NIST | |
| Ip | 1344.00 | NIST | |
| Ip | 1351.00 | NIST | |
| Ip | 1351.00 | NIST | |
| Ip | 1366.00 | NIST | |
| Ip | 1375.00 | NIST | |
| Ip | 1338.00 | NIST | |
| Ip | 1339.00 | NIST | |
| Ip | 1339.00 | NIST | |
| Ip | 1385.00 | NIST | |
| Ip | 1390.00 | NIST | |
| Ip | 1359.00 | NIST | |
| Ip | 1376.00 | NIST | |
| Ip | 1380.00 | NIST | |
| Ip | 1358.00 | NIST | |
| Ip | Outlier 1396.00 | NIST | |
| Ip | 1340.00 | NIST | |
| Ip | 1343.00 | NIST | |
| Ip | 1345.00 | NIST | |
| Ip | 1340.00 | NIST | |
| Ip | 1343.00 | NIST | |
| Ip | 1358.00 | NIST | |
| Ip | 1339.00 | NIST | |
| Ip | 1372.00 | NIST | |
| Ip | 1360.00 | NIST | |
| Ip | 1366.00 | NIST | |
| Ip | 1369.00 | NIST | |
| Ip | Outlier 1316.00 | NIST | |
| Ip | 1352.00 | NIST | |
| Ip | 1366.00 | NIST | |
| Tboil | [437.20; 442.35] | K |
|
| Tboil | 437.59 | K | ChemSep v8.3 pure component data Compiled value |
| Tboil | 441.25 | K | NCMS SOLV-DB |
| Tboil | 439.20 | K | NIST |
| Tboil | 437.20 | K | NIST |
| Tboil | 442.35 | K | NIST |
| Tboil | 442.35 | K | NIST |
| Tc | [606.00; 606.00] | K |
|
| Tc | 606.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 606.00 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | [226.15; 230.35] | K |
|
| Tfus | 226.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 228.95 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 230.35 | K | NCMS SOLV-DB |
| Tfus | 230.35 | K | NIST |
| Tfus | 230.35 | K | NIST |
| Ttriple | 229.15 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 4.92 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.37 | ChemSep v8.3 pure component data Compiled value | |
| Vc | [0.374; 0.387] | m3/kmol |
|
| Vc | 0.374 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.387 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2770000 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.28 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.36; 380.15] | J/mol×K | [255.00; 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 | 7.30297e+01 | |||
| Coefficient B | -5.00000e+02 | |||
| Coefficient C | 6.06057e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 255.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 133.36 | J/mol×K | 255.00 | Calculated Property |
| Cp,gas | 193.26 | J/mol×K | 393.33 | Calculated Property |
| Cp,gas | 240.39 | J/mol×K | 531.67 | Calculated Property |
| Cp,gas | 276.25 | J/mol×K | 670.00 | Calculated Property |
| Cp,gas | 303.94 | J/mol×K | 808.33 | Calculated Property |
| Cp,gas | 325.78 | J/mol×K | 946.67 | Calculated Property |
| Cp,gas | 343.39 | J/mol×K | 1085.00 | Calculated Property |
| Cp,gas | 357.85 | J/mol×K | 1223.33 | Calculated Property |
| Cp,gas | 369.92 | J/mol×K | 1361.67 | Calculated Property |
| Cp,gas | 380.15 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [194.17; 308.11] | J/mol×K | [229.15; 441.05] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | 2.05610e+02 | |||
| Coefficient B | -3.55200e-01 | |||
| Coefficient C | 1.33230e-03 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 229.15 | |||
| Temperature range, max. | 441.05 | |||
| Cp,liquid | 194.17 | J/mol×K | 229.15 | Calculated Property |
| Cp,liquid | 200.93 | J/mol×K | 252.69 | Calculated Property |
| Cp,liquid | 209.15 | J/mol×K | 276.24 | Calculated Property |
| Cp,liquid | 218.86 | J/mol×K | 299.78 | Calculated Property |
| Cp,liquid | 230.04 | J/mol×K | 323.33 | Calculated Property |
| Cp,liquid | 242.70 | J/mol×K | 346.87 | Calculated Property |
| Cp,liquid | 256.84 | J/mol×K | 370.42 | Calculated Property |
| Cp,liquid | 272.46 | J/mol×K | 393.96 | Calculated Property |
| Cp,liquid | 289.55 | J/mol×K | 417.51 | Calculated Property |
| Cp,liquid | 308.11 | J/mol×K | 441.05 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.2917098; 0.0001091] | Pa×s | [223.65; 484.80] |
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 | 1.55570e+02 | |||
| Coefficient B | -8.72640e+03 | |||
| Coefficient C | -2.38030e+01 | |||
| Coefficient D | 2.75020e+10 | |||
| Coefficient E | -4.00000e+00 | |||
| Temperature range, min. | 223.65 | |||
| Temperature range, max. | 484.80 | |||
| η | 0.2917098 | Pa×s | 223.65 | Calculated Property |
| η | 0.0202595 | Pa×s | 252.67 | Calculated Property |
| η | 0.0049485 | Pa×s | 281.68 | Calculated Property |
| η | 0.0020988 | Pa×s | 310.70 | Calculated Property |
| η | 0.0011375 | Pa×s | 339.72 | Calculated Property |
| η | 0.0006853 | Pa×s | 368.73 | Calculated Property |
| η | 0.0004302 | Pa×s | 397.75 | Calculated Property |
| η | 0.0002732 | Pa×s | 426.77 | Calculated Property |
| η | 0.0001732 | Pa×s | 455.78 | Calculated Property |
| η | 0.0001091 | Pa×s | 484.80 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [51.79; 0.00] | kJ/mol | [229.15; 606.00] |
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 | 5.65520e+01 | |||
| Coefficient B | 1.85230e-01 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 6.06000e+02 | |||
| Temperature range, min. | 229.15 | |||
| Temperature range, max. | 606.00 | |||
| ΔvapH | 51.79 | kJ/mol | 229.15 | Calculated Property |
| ΔvapH | 50.67 | kJ/mol | 271.02 | Calculated Property |
| ΔvapH | 49.43 | kJ/mol | 312.89 | Calculated Property |
| ΔvapH | 48.04 | kJ/mol | 354.77 | Calculated Property |
| ΔvapH | 46.45 | kJ/mol | 396.64 | Calculated Property |
| ΔvapH | 44.57 | kJ/mol | 438.51 | Calculated Property |
| ΔvapH | 42.25 | kJ/mol | 480.38 | Calculated Property |
| ΔvapH | 39.20 | kJ/mol | 522.26 | Calculated Property |
| ΔvapH | 34.47 | kJ/mol | 564.13 | Calculated Property |
| ΔvapH | 0.00 | kJ/mol | 606.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [330.88; 465.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.78470e+01 | |||
| Coefficient B | -5.91478e+03 | |||
| Coefficient C | 5.97000e+00 | |||
| Temperature range, min. | 330.88 | |||
| Temperature range, max. | 465.87 | |||
| Pvap | 1.33 | kPa | 330.88 | Calculated Property |
| Pvap | 2.82 | kPa | 345.88 | Calculated Property |
| Pvap | 5.61 | kPa | 360.88 | Calculated Property |
| Pvap | 10.56 | kPa | 375.88 | Calculated Property |
| Pvap | 18.96 | kPa | 390.88 | Calculated Property |
| Pvap | 32.63 | kPa | 405.87 | Calculated Property |
| Pvap | 54.05 | kPa | 420.87 | Calculated Property |
| Pvap | 86.52 | kPa | 435.87 | Calculated Property |
| Pvap | 134.27 | kPa | 450.87 | Calculated Property |
| Pvap | 202.63 | kPa | 465.87 | Calculated Property |
| Pvap | [3.01e-04; 3605.76] | kPa | [229.15; 606.00] |
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 | 1.55112e+02 | |||
| Coefficient B | -1.05310e+04 | |||
| Coefficient C | -2.26710e+01 | |||
| Coefficient D | 2.59180e-02 | |||
| Coefficient E | 1.00000e+00 | |||
| Temperature range, min. | 229.15 | |||
| Temperature range, max. | 606.00 | |||
| Pvap | 3.01e-04 | kPa | 229.15 | Calculated Property |
| Pvap | 0.02 | kPa | 271.02 | Calculated Property |
| Pvap | 0.50 | kPa | 312.89 | Calculated Property |
| Pvap | 4.53 | kPa | 354.77 | Calculated Property |
| Pvap | 24.55 | kPa | 396.64 | Calculated Property |
| Pvap | 94.24 | kPa | 438.51 | Calculated Property |
| Pvap | 286.21 | kPa | 480.38 | Calculated Property |
| Pvap | 738.73 | kPa | 522.26 | Calculated Property |
| Pvap | 1700.03 | kPa | 564.13 | Calculated Property |
| Pvap | 3605.76 | kPa | 606.00 | Calculated Property |
| Pvap | [0.29; 19.35] | kPa | [301.30; 387.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.16383e+01 | |||
| Coefficient B | -8.77239e+03 | |||
| Coefficient C | 8.19210e+01 | |||
| Reference | Fuge, Bowden, et al., 1952 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 301.30 | |||
| Temperature range, max. | 387.80 | |||
| Pvap | 0.29 | kPa | 301.30 | Calculated Property |
| Pvap | 0.50 | kPa | 310.91 | Calculated Property |
| Pvap | 0.85 | kPa | 320.52 | Calculated Property |
| Pvap | 1.42 | kPa | 330.13 | Calculated Property |
| Pvap | 2.30 | kPa | 339.74 | Calculated Property |
| Pvap | 3.66 | kPa | 349.36 | Calculated Property |
| Pvap | 5.70 | kPa | 358.97 | Calculated Property |
| Pvap | 8.72 | kPa | 368.58 | Calculated Property |
| Pvap | 13.10 | kPa | 378.19 | Calculated Property |
| Pvap | 19.35 | kPa | 387.80 | Calculated Property |
| Pvap | [0.13; 100.45] | kPa | [295.00; 441.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.61167e+01 | |||
| Coefficient B | -4.59794e+03 | |||
| Coefficient C | -4.15260e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 295.00 | |||
| Temperature range, max. | 441.10 | |||
| Pvap | 0.13 | kPa | 295.00 | Calculated Property |
| Pvap | 0.39 | kPa | 311.23 | Calculated Property |
| Pvap | 1.04 | kPa | 327.47 | Calculated Property |
| Pvap | 2.46 | kPa | 343.70 | Calculated Property |
| Pvap | 5.35 | kPa | 359.93 | Calculated Property |
| Pvap | 10.77 | kPa | 376.17 | Calculated Property |
| Pvap | 20.34 | kPa | 392.40 | Calculated Property |
| Pvap | 36.30 | kPa | 408.63 | Calculated Property |
| Pvap | 61.70 | kPa | 424.87 | Calculated Property |
| Pvap | 100.45 | kPa | 441.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [991.15; 300.16] | kg/m3 | [229.15; 606.00] |
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 | 7.81348e+01 | |||
| Coefficient B | 2.60310e-01 | |||
| Coefficient C | 6.06000e+02 | |||
| Coefficient D | 2.51100e-01 | |||
| Temperature range, min. | 229.15 | |||
| Temperature range, max. | 606.00 | |||
| ρl | 991.15 | kg/m3 | 229.15 | Calculated Property |
| ρl | 957.24 | kg/m3 | 271.02 | Calculated Property |
| ρl | 921.33 | kg/m3 | 312.89 | Calculated Property |
| ρl | 882.92 | kg/m3 | 354.77 | Calculated Property |
| ρl | 841.30 | kg/m3 | 396.64 | Calculated Property |
| ρl | 795.36 | kg/m3 | 438.51 | Calculated Property |
| ρl | 743.14 | kg/m3 | 480.38 | Calculated Property |
| ρl | 680.70 | kg/m3 | 522.26 | Calculated Property |
| ρl | 597.24 | kg/m3 | 564.13 | Calculated Property |
| ρl | 300.16 | kg/m3 | 606.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.00] | N/m | [229.15; 606.00] |
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 γ in N/m, T in K | |||
| Coefficient A | 6.28840e-02 | |||
| Coefficient B | 1.10630e+00 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 6.06000e+02 | |||
| Temperature range, min. | 229.15 | |||
| Temperature range, max. | 606.00 | |||
| γ | 0.04 | N/m | 229.15 | Calculated Property |
| γ | 0.03 | N/m | 271.02 | Calculated Property |
| γ | 0.03 | N/m | 312.89 | Calculated Property |
| γ | 0.02 | N/m | 354.77 | Calculated Property |
| γ | 0.02 | N/m | 396.64 | Calculated Property |
| γ | 0.02 | N/m | 438.51 | Calculated Property |
| γ | 0.01 | N/m | 480.38 | Calculated Property |
| γ | 0.01 | N/m | 522.26 | Calculated Property |
| γ | 0.00 | N/m | 564.13 | Calculated Property |
| γ | 0.00 | N/m | 606.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.02; 0.08] | W/m×K | [441.00; 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 | 1.53900e-04 | |||
| Coefficient B | 9.82500e-01 | |||
| Coefficient C | 7.04300e+02 | |||
| Coefficient D | 0.00000e+00 | |||
| Temperature range, min. | 441.00 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.02 | W/m×K | 441.00 | Calculated Property |
| λgas | 0.03 | W/m×K | 503.11 | Calculated Property |
| λgas | 0.03 | W/m×K | 565.22 | Calculated Property |
| λgas | 0.04 | W/m×K | 627.33 | Calculated Property |
| λgas | 0.05 | W/m×K | 689.44 | Calculated Property |
| λgas | 0.05 | W/m×K | 751.56 | Calculated Property |
| λgas | 0.06 | W/m×K | 813.67 | Calculated Property |
| λgas | 0.07 | W/m×K | 875.78 | Calculated Property |
| λgas | 0.07 | W/m×K | 937.89 | Calculated Property |
| λgas | 0.08 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.16; 0.09] | W/m×K | [229.15; 481.80] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K | |||
| Coefficient A | 2.18900e-01 | |||
| Coefficient B | -2.62100e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 229.15 | |||
| Temperature range, max. | 481.80 | |||
| λliquid | 0.16 | W/m×K | 229.15 | Calculated Property |
| λliquid | 0.15 | W/m×K | 257.22 | Calculated Property |
| λliquid | 0.14 | W/m×K | 285.29 | Calculated Property |
| λliquid | 0.14 | W/m×K | 313.37 | Calculated Property |
| λliquid | 0.13 | W/m×K | 341.44 | Calculated Property |
| λliquid | 0.12 | W/m×K | 369.51 | Calculated Property |
| λliquid | 0.11 | W/m×K | 397.58 | Calculated Property |
| λliquid | 0.11 | W/m×K | 425.66 | Calculated Property |
| λliquid | 0.10 | W/m×K | 453.73 | Calculated Property |
| λliquid | 0.09 | W/m×K | 481.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 4-hydroxy-4-methyl-.
Mixtures
- Benzoic acid + 2-Pentanone, 4-hydroxy-4-methyl-
- Benzene, nitro- + 2-Pentanone, 4-hydroxy-4-methyl-
- 2-Pentanone, 4-hydroxy-4-methyl- + Benzene, ethyl-
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.
- Cheméo Relay (1.0)
- 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
- Solubility Measurement and Thermodynamic Modeling of Benzoic Acid in Monosolvents and Binary Mixtures
- Thermo Physical Properties of 4-Hydroxy 4-Methyl Pentanone with Nitrobenzene or Ethyl Benzene at Temperatures of (303.15, 313.15, and 323.15) K and a Pressure of 0.1 MPa
- Joback Method
- McGowan Method
- NIST Webbook
- NCMS SOLV-DB
- The Yaws Handbook of Vapor Pressure
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