Chemical Properties of 2-Pentanone, 3-methyl- (CAS 565-61-7)

2-Pentanone, 3-methyl-

Export as

InChI
InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
InChI Key
UIHCLUNTQKBZGK-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CCC(C)C(C)=O
Molecular Weight1
100.16
CAS
565-61-7
Other Names
  • 3-Methyl-2-pentanone
  • 3-Methylpentan-2-one
  • Methyl 1-methylpropyl ketone
  • Methyl sec-butyl ketone
  • sec-Butyl Methyl ketone
  • sec-C4H9COCH3
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -131.72 kJ/mol Joback Calculated Property
Δfgas -284.10 ± 1.30 kJ/mol NIST
Δfus 9.37 kJ/mol Joback Calculated Property
Δvap [40.59; 41.50] kJ/mol Show Hide
Δvap 40.59 kJ/mol NIST
Δvap 41.50 kJ/mol NIST
Δvap 41.20 kJ/mol NIST
IE [9.20; 9.69] eV Show Hide
IE 9.21 ± 0.01 eV NIST
IE 9.20 ± 0.05 eV NIST
IE 9.22 eV NIST
IE 9.21 ± 0.01 eV NIST
IE 9.69 eV NIST
log10WS [-0.67; -0.67]   Show Hide
log10WS -0.67 Aq. Sol...
log10WS -0.67 Estimat...
logPoct/wat 1.621 Crippen Calculated Property
McVol 96.970 ml/mol McGowan Calculated Property
Pc 3368.44 kPa Joback Calculated Property
Inp [727.00; 762.00]   Show Hide
Inp 734.80 NIST
Inp 738.96 NIST
Inp 732.26 NIST
Inp 733.49 NIST
Inp 734.94 NIST
Inp 736.84 NIST
Inp 739.00 NIST
Inp 734.00 NIST
Inp 735.00 NIST
Inp 737.00 NIST
Inp 752.00 NIST
Inp 750.00 NIST
Inp 738.00 NIST
Inp 762.00 NIST
Inp 751.00 NIST
Inp 736.00 NIST
Inp 760.00 NIST
Inp 734.00 NIST
Inp 727.00 NIST
Inp 743.00 NIST
Inp 759.00 NIST
Inp 752.00 NIST
Inp 753.00 NIST
Inp 750.00 NIST
Inp 759.00 NIST
Inp 750.00 NIST
Inp 735.00 NIST
Inp 747.00 NIST
Inp 734.00 NIST
Inp 734.00 NIST
Inp 735.00 NIST
Inp 748.00 NIST
Inp 752.00 NIST
I [1005.00; 1067.00]   Show Hide
I 1054.30 NIST
I 1033.90 NIST
I 1040.80 NIST
I 1047.60 NIST
I 1023.00 NIST
I 1005.00 NIST
I Outlier 1067.00 NIST
I 1011.00 NIST
I 1016.00 NIST
I 1016.00 NIST
I 1019.00 NIST
I 1013.00 NIST
I 1014.00 NIST
I 1019.00 NIST
I 1016.00 NIST
I 1022.00 NIST
I 1034.00 NIST
I 1013.00 NIST
I 1020.00 NIST
Tboil 390.11 K Joback Calculated Property
Tc 571.90 K NIST
Tfus 192.31 K Joback Calculated Property
Vc 0.371 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [182.46; 188.66] J/mol×K [395.25; 416.25] Show Hide
Cp,gas 182.46 ± 0.27 J/mol×K 395.25 NIST
Cp,gas 183.72 ± 0.28 J/mol×K 399.65 NIST
Cp,gas 184.97 ± 0.28 J/mol×K 403.75 NIST
Cp,gas 187.36 ± 0.28 J/mol×K 411.35 NIST
Cp,gas 188.66 ± 0.28 J/mol×K 416.25 NIST
η [0.0002910; 0.0061867] Pa×s [192.31; 390.11] Show Hide
η 0.0061867 Pa×s 192.31 Joback Calculated Property
η 0.0025603 Pa×s 225.28 Joback Calculated Property
η 0.0013273 Pa×s 258.24 Joback Calculated Property
η 0.0007984 Pa×s 291.21 Joback Calculated Property
η 0.0005326 Pa×s 324.18 Joback Calculated Property
η 0.0003828 Pa×s 357.14 Joback Calculated Property
η 0.0002910 Pa×s 390.11 Joback Calculated Property
ΔvapH [34.16; 39.80] kJ/mol [343.00; 420.00] Show Hide
ΔvapH 39.80 kJ/mol 343.00 NIST
ΔvapH 34.16 kJ/mol 390.60 NIST
ΔvapH 36.50 kJ/mol 420.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 391.20 K 101.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [289.94; 414.31] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50153e+01
Coefficient B-3.53784e+03
Coefficient C-4.97230e+01
Temperature range, min.289.94
Temperature range, max.414.31
Pvap 1.33 kPa 289.94 Calculated Property
Pvap 2.97 kPa 303.76 Calculated Property
Pvap 6.09 kPa 317.58 Calculated Property
Pvap 11.65 kPa 331.40 Calculated Property
Pvap 20.96 kPa 345.22 Calculated Property
Pvap 35.78 kPa 359.03 Calculated Property
Pvap 58.36 kPa 372.85 Calculated Property
Pvap 91.44 kPa 386.67 Calculated Property
Pvap 138.28 kPa 400.49 Calculated Property
Pvap 202.67 kPa 414.31 Calculated Property
Pvap [1.31; 197.85] kPa [286.15; 415.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.25886e+01
Coefficient B-7.00758e+03
Coefficient C-8.54893e+00
Coefficient D6.48072e-06
Temperature range, min.286.15
Temperature range, max.415.15
Pvap 1.31 kPa 286.15 Calculated Property
Pvap 2.94 kPa 300.48 Calculated Property
Pvap 6.04 kPa 314.82 Calculated Property
Pvap 11.55 kPa 329.15 Calculated Property
Pvap 20.77 kPa 343.48 Calculated Property
Pvap 35.38 kPa 357.82 Calculated Property
Pvap 57.54 kPa 372.15 Calculated Property
Pvap 89.86 kPa 386.48 Calculated Property
Pvap 135.43 kPa 400.82 Calculated Property
Pvap 197.85 kPa 415.15 Calculated Property

Similar Compounds

2-Pentanone, 3-ethyl-. 3-Hexanone, 4-methyl-. 2-Hexanone, 3-methyl-. 3-Hexanone, 2,4-dimethyl-. 3,5-Dimethyl-4-heptanone. 4-Heptanone, 3-methyl-. 2-Heptanone, 3-methyl-. 2,4-Pentanedione, 3-ethyl-. Ethanone, 1-cyclobutyl-. 3-methyl-2-nonanone. 3-Methyl-4-octanone. 3-Heptanone, 4-methyl-. 3-Methyltridecan-4-one. 3-Methyl-4-nonanone. 4-Heptanone, 3-ethyl-.

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

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

Login Register