Chemical Properties of 2-Butanone, 3-methyl- (CAS 563-80-4)

2-Butanone, 3-methyl-

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InChI
InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
InChI Key
SYBYTAAJFKOIEJ-UHFFFAOYSA-N
Formula
C5H10O
SMILES
CC(=O)C(C)C
Molecular Weight1
86.13
CAS
563-80-4
Other Names
  • 2-Acetylpropane
  • 2-Methylbutan-3-one
  • 3-METHYL-2-BUTANONE
  • 3-Methyl-2-butanoate
  • 3-Methylbutan-2-one
  • 3-methylbutanone
  • Isopropyl methyl ketone
  • Ketone, isopropyl methyl
  • METHYLBUTANONE
  • MIPK
  • Methyl butanone-2
  • Methyl isopropyl ketone
  • NSC 9379
  • UN 2397
  • iso-C3H7COCH3
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Physical Properties

Property Value Unit Source
ω 0.3310 KDB
PAff 836.30 kJ/mol NIST
BasG 804.40 kJ/mol NIST
Δcliquid -3097.20 ± 0.80 kJ/mol NIST
μ 2.80 debye KDB
Δf -140.14 kJ/mol Joback Calculated Property
Δfgas -262.57 ± 0.87 kJ/mol NIST
Δfliquid -299.47 ± 0.86 kJ/mol NIST
Δfus 6.78 kJ/mol Joback Calculated Property
Δvap [36.80; 36.90] kJ/mol Show Hide
Δvap 36.87 kJ/mol NIST
Δvap 36.81 kJ/mol NIST
Δvap 36.80 kJ/mol NIST
Δvap 36.90 kJ/mol NIST
IE [9.30; 9.36] eV Show Hide
IE 9.31 ± 0.02 eV NIST
IE 9.30 ± 0.01 eV NIST
IE 9.30 ± 0.01 eV NIST
IE 9.30 ± 0.04 eV NIST
IE Outlier 9.36 eV NIST
IE 9.30 ± 0.01 eV NIST
IE 9.30 ± 0.02 eV NIST
IE 9.32 ± 0.02 eV NIST
log10WS [-0.12; -0.12]   Show Hide
log10WS -0.12 Aq. Sol...
log10WS -0.12 Estimat...
logPoct/wat 1.231 Crippen Calculated Property
McVol 82.880 ml/mol McGowan Calculated Property
Pc [3800.00; 3850.00] kPa Show Hide
Pc 3850.00 kPa KDB
Pc 3800.00 ± 20.00 kPa NIST
Pc 3850.00 ± 48.30 kPa NIST
ρc 278.21 ± 24.98 kg/m3 NIST
Inp [625.00; 673.00]   Show Hide
Inp 640.90 NIST
Inp 642.78 NIST
Inp 639.36 NIST
Inp 639.89 NIST
Inp 640.49 NIST
Inp 641.53 NIST
Inp 643.00 NIST
Inp 640.00 NIST
Inp 640.00 NIST
Inp 642.00 NIST
Inp 646.00 NIST
Inp 627.00 NIST
Inp 650.00 NIST
Inp 647.20 NIST
Inp 636.00 NIST
Inp Outlier 673.00 NIST
Inp 640.00 NIST
Inp 625.00 NIST
Inp 641.00 NIST
Inp 657.00 NIST
Inp Outlier 666.10 NIST
Inp 628.00 NIST
Inp 638.00 NIST
Inp 659.00 NIST
Inp 654.00 NIST
Inp 628.00 NIST
Inp 639.00 NIST
Inp 637.00 NIST
Inp 658.00 NIST
Inp 641.00 NIST
Inp 653.00 NIST
Inp 640.00 NIST
Inp 640.00 NIST
Inp 641.00 NIST
Inp 642.00 NIST
Inp 641.00 NIST
Inp 635.00 NIST
Inp 636.00 NIST
Inp 642.00 NIST
Inp 650.00 NIST
Inp 647.00 NIST
Inp 651.00 NIST
Inp 650.00 NIST
Inp 640.90 NIST
Inp 641.53 NIST
Inp 646.00 NIST
Inp 641.00 NIST
Inp 659.00 NIST
Inp 640.00 NIST
Inp Outlier 673.00 NIST
Inp 658.00 NIST
Inp 642.00 NIST
Inp 650.00 NIST
I [918.00; 989.00]   Show Hide
I 965.00 NIST
I 949.40 NIST
I 954.40 NIST
I 959.60 NIST
I 943.20 NIST
I 929.00 NIST
I 936.00 NIST
I 929.00 NIST
I 929.00 NIST
I 918.00 NIST
I 929.00 NIST
I 925.00 NIST
I 927.00 NIST
I Outlier 989.00 NIST
I 956.00 NIST
I 929.00 NIST
I 929.00 NIST
I 970.00 NIST
I 949.00 NIST
I 936.00 NIST
I 918.00 NIST
I 929.00 NIST
I 965.00 NIST
liquid 268.50 J/mol×K NIST
Tboil [365.15; 389.50] K Show Hide
Tboil 367.48 K KDB
Tboil 367.70 K NIST
Tboil 367.40 K NIST
Tboil Outlier 389.50 ± 0.30 K NIST
Tboil 368.30 ± 0.60 K NIST
Tboil 368.00 ± 0.40 K NIST
Tboil 366.65 ± 1.00 K NIST
Tboil 367.15 ± 1.00 K NIST
Tboil 367.65 ± 1.00 K NIST
Tboil 367.35 ± 0.50 K NIST
Tboil 367.65 ± 1.00 K NIST
Tboil 367.90 ± 0.50 K NIST
Tboil 366.15 ± 2.00 K NIST
Tboil 367.35 ± 0.50 K NIST
Tboil 368.55 ± 2.00 K NIST
Tboil 365.65 ± 2.00 K NIST
Tboil 368.60 ± 0.50 K NIST
Tboil 368.15 ± 2.00 K NIST
Tboil 366.70 ± 0.50 K NIST
Tboil 367.41 ± 0.50 K NIST
Tboil 365.15 ± 5.00 K NIST
Tboil 367.30 ± 1.00 K NIST
Tboil 366.15 ± 1.00 K NIST
Tboil 366.65 ± 2.00 K NIST
Tboil 365.65 ± 5.00 K NIST
Tboil 366.65 ± 1.00 K NIST
Tboil 366.65 ± 1.00 K NIST
Tboil 368.15 ± 2.00 K NIST
Tboil 365.15 ± 2.00 K NIST
Tboil 366.65 ± 1.00 K NIST
Tboil 368.65 ± 1.00 K NIST
Tboil 367.65 ± 2.00 K NIST
Tboil 368.30 ± 2.00 K NIST
Tboil 367.15 ± 1.00 K NIST
Tboil 367.65 ± 2.00 K NIST
Tboil 366.15 ± 1.00 K NIST
Tboil 366.65 ± 1.00 K NIST
Tboil 365.55 ± 0.30 K NIST
Tboil 367.65 ± 2.00 K NIST
Tboil 366.65 ± 1.00 K NIST
Tboil 366.65 ± 1.00 K NIST
Tboil 366.65 ± 1.00 K NIST
Tc [553.10; 553.40] K Show Hide
Tc 553.40 K KDB
Tc 553.10 ± 0.40 K NIST
Tc 553.40 K NIST
Tc 553.40 ± 0.83 K NIST
Tfus [178.75; 181.15] K Show Hide
Tfus 181.00 K KDB
Tfus 180.78 K Aq. Sol...
Tfus 178.75 ± 0.40 K NIST
Tfus 181.15 ± 0.60 K NIST
Ttriple 180.01 ± 0.06 K NIST
Vc 0.310 m3/kmol KDB
Zc 0.2593860 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [139.58; 172.09] J/mol×K [358.15; 473.15] Show Hide
Cp,gas 139.58 J/mol×K 358.15 NIST
Cp,gas 146.82 J/mol×K 383.15 NIST
Cp,gas 154.26 J/mol×K 408.15 NIST
Cp,gas 161.25 J/mol×K 433.15 NIST
Cp,gas 166.77 J/mol×K 453.15 NIST
Cp,gas 172.09 J/mol×K 473.15 NIST
Cp,liquid [179.90; 180.00] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 180.00 J/mol×K 298.15 NIST
Cp,liquid 179.90 J/mol×K 298.15 NIST
η [0.0002843; 0.0056166] Pa×s [181.04; 367.23] Show Hide
η 0.0056166 Pa×s 181.04 Joback Calculated Property
η 0.0023744 Pa×s 212.07 Joback Calculated Property
η 0.0012505 Pa×s 243.10 Joback Calculated Property
η 0.0007615 Pa×s 274.13 Joback Calculated Property
η 0.0005129 Pa×s 305.17 Joback Calculated Property
η 0.0003716 Pa×s 336.20 Joback Calculated Property
η 0.0002843 Pa×s 367.23 Joback Calculated Property
ΔfusH [9.34; 9.34] kJ/mol [180.00; 180.01] Show Hide
ΔfusH 9.34 kJ/mol 180.00 NIST
ΔfusH 9.34 kJ/mol 180.00 NIST
ΔfusH 9.34 kJ/mol 180.01 NIST
ΔvapH [32.30; 35.50] kJ/mol [327.00; 452.50] Show Hide
ΔvapH 35.00 ± 0.10 kJ/mol 327.00 NIST
ΔvapH 35.50 kJ/mol 340.00 NIST
ΔvapH 33.80 ± 0.10 kJ/mol 346.00 NIST
ΔvapH 35.00 kJ/mol 352.50 NIST
ΔvapH 32.30 ± 0.10 kJ/mol 367.00 NIST
ΔvapH 32.35 kJ/mol 367.40 NIST
ΔvapH 33.80 kJ/mol 389.00 NIST
ΔvapH 32.60 kJ/mol 452.50 NIST
n0 [1.38620; 1.38620]   [298.15; 298.15] Show Hide
n0 1.38620 298.15 Isother...
n0 1.38620 298.15 Vapor-L...
ρl [778.62; 808.30] kg/m3 [288.15; 318.15] Show Hide
ρl 808.30 kg/m3 288.15 Thermal...
ρl 803.00 kg/m3 293.00 KDB
ρl 799.55 kg/m3 298.15 Vapour-...
ρl 800.63 kg/m3 298.15 Liquid-...
ρl 798.51 kg/m3 298.15 Thermal...
ρl 788.60 kg/m3 308.15 Thermal...
ρl 778.62 kg/m3 318.15 Thermal...
ΔfusS 51.90 J/mol×K 180.01 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [273.22; 390.44] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42556e+01
Coefficient B-2.91500e+03
Coefficient C-6.45290e+01
Temperature range, min.273.22
Temperature range, max.390.44
Pvap 1.33 kPa 273.22 Calculated Property
Pvap 3.03 kPa 286.24 Calculated Property
Pvap 6.28 kPa 299.27 Calculated Property
Pvap 12.07 kPa 312.29 Calculated Property
Pvap 21.71 kPa 325.32 Calculated Property
Pvap 36.95 kPa 338.34 Calculated Property
Pvap 59.92 kPa 351.37 Calculated Property
Pvap 93.18 kPa 364.39 Calculated Property
Pvap 139.65 kPa 377.42 Calculated Property
Pvap 202.64 kPa 390.44 Calculated Property
Pvap [2.35e-05; 3934.08] kPa [181.15; 553.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.01851e+02
Coefficient B-1.16914e+04
Coefficient C-2.86327e+01
Coefficient D2.74487e-05
Temperature range, min.181.15
Temperature range, max.553.00
Pvap 2.35e-05 kPa 181.15 Calculated Property
Pvap 0.02 kPa 222.47 Calculated Property
Pvap 0.83 kPa 263.78 Calculated Property
Pvap 9.86 kPa 305.10 Calculated Property
Pvap 52.54 kPa 346.42 Calculated Property
Pvap 174.91 kPa 387.73 Calculated Property
Pvap 443.66 kPa 429.05 Calculated Property
Pvap 968.92 kPa 470.37 Calculated Property
Pvap 1970.91 kPa 511.68 Calculated Property
Pvap 3934.08 kPa 553.00 Calculated Property

Similar Compounds

3-Pentanone, 2,4-dimethyl-. 3-Pentanone, 2-methyl-. 2-Butanone, 3-methyl-1-chloro. 2-Butanone, 1-chloro-3-methyl. 1-Bromo-3-methylbutan-2-one. 1,2-dimethylpropyl radical. 2,2,4-Trimethyl-3-pentanone. 2-Butanone, 1,1-dichloro-3-methyl. 2,4-Pentanedione, 3-methyl-. 2-Pentanone, 3-methyl-. 1-Hydroxy-3-methyl-2-butanone. Ethanone, 1-cyclopropyl-. 2,3-Pentanedione, 4-methyl-. 1-Diazo-3-methylbutan-2-one. 2-Butanone, 3,3-dimethyl-.

Find more compounds similar to 2-Butanone, 3-methyl-.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.