Chemical Properties of Butanoic acid, 2-methylbutyl ester (CAS 51115-64-1)

Butanoic acid, 2-methylbutyl ester

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InChI
InChI=1S/C9H18O2/c1-4-6-9(10)11-7-8(3)5-2/h8H,4-7H2,1-3H3
InChI Key
MBZKQDXXFMITAC-UHFFFAOYSA-N
Formula
C9H18O2
SMILES
CCCC(=O)OCC(C)CC
Molecular Weight1
158.24
CAS
51115-64-1
Other Names
  • 2-Methylbutyl butanoate
  • 2-Methylbutyl butyrate
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Physical Properties

Property Value Unit Source
Δf -211.46 kJ/mol Joback Calculated Property
Δfgas -479.17 kJ/mol Joback Calculated Property
Δfus 18.33 kJ/mol Joback Calculated Property
Δvap 44.40 kJ/mol Joback Calculated Property
log10WS -2.21 Crippen Calculated Property
logPoct/wat 2.376 Crippen Calculated Property
McVol 145.110 ml/mol McGowan Calculated Property
Pc 2431.44 kPa Joback Calculated Property
Inp [1020.00; 1060.00]   Show Hide
Inp 1027.00 NIST
Inp 1044.00 NIST
Inp 1047.00 NIST
Inp 1047.00 NIST
Inp Outlier 1020.00 NIST
Inp Outlier 1020.00 NIST
Inp 1056.00 NIST
Inp 1048.00 NIST
Inp 1037.00 NIST
Inp 1044.00 NIST
Inp 1060.00 NIST
Inp 1041.00 NIST
Inp 1037.00 NIST
Inp 1056.00 NIST
Inp 1048.00 NIST
Inp 1047.00 NIST
Inp 1056.00 NIST
I [1231.00; 1292.00]   Show Hide
I Outlier 1231.00 NIST
I 1285.00 NIST
I 1272.00 NIST
I 1269.00 NIST
I 1287.00 NIST
I 1240.00 NIST
I 1268.00 NIST
I 1265.00 NIST
I 1292.00 NIST
I 1275.00 NIST
I 1289.00 NIST
I 1281.00 NIST
I 1255.00 NIST
I 1252.00 NIST
I 1275.00 NIST
I 1292.00 NIST
I 1265.00 NIST
Tboil 481.17 K Joback Calculated Property
Tc 658.49 K Joback Calculated Property
Tfus 248.35 K Joback Calculated Property
Vc 0.557 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [323.06; 397.15] J/mol×K [481.17; 658.49] Show Hide
Cp,gas 323.06 J/mol×K 481.17 Joback Calculated Property
Cp,gas 336.66 J/mol×K 510.72 Joback Calculated Property
Cp,gas 349.76 J/mol×K 540.28 Joback Calculated Property
Cp,gas 362.35 J/mol×K 569.83 Joback Calculated Property
Cp,gas 374.44 J/mol×K 599.38 Joback Calculated Property
Cp,gas 386.04 J/mol×K 628.93 Joback Calculated Property
Cp,gas 397.15 J/mol×K 658.49 Joback Calculated Property
η [0.0002272; 0.0047844] Pa×s [248.35; 481.17] Show Hide
η 0.0047844 Pa×s 248.35 Joback Calculated Property
η 0.0020429 Pa×s 287.15 Joback Calculated Property
η 0.0010682 Pa×s 325.96 Joback Calculated Property
η 0.0006412 Pa×s 364.76 Joback Calculated Property
η 0.0004246 Pa×s 403.56 Joback Calculated Property
η 0.0003022 Pa×s 442.37 Joback Calculated Property
η 0.0002272 Pa×s 481.17 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [336.52; 486.31] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43933e+01
Coefficient B-3.81960e+03
Coefficient C-6.57360e+01
Temperature range, min.336.52
Temperature range, max.486.31
Pvap 1.33 kPa 336.52 Calculated Property
Pvap 3.02 kPa 353.16 Calculated Property
Pvap 6.24 kPa 369.81 Calculated Property
Pvap 11.98 kPa 386.45 Calculated Property
Pvap 21.57 kPa 403.09 Calculated Property
Pvap 36.73 kPa 419.74 Calculated Property
Pvap 59.62 kPa 436.38 Calculated Property
Pvap 92.84 kPa 453.02 Calculated Property
Pvap 139.38 kPa 469.67 Calculated Property
Pvap 202.64 kPa 486.31 Calculated Property

Similar Compounds

2-methylbutyl-d-3 butanoate. Butanoic acid, 3-methyl-, 2-methylbutyl ester. Succinic acid, di(2-methylbutyl) ester. Glutaric acid, isobutyl 2-methylbutyl ester. Glutaric acid, di(2-methylbutyl) ester. 1-Butanol, 2-methyl-, propanoate. 2-methylbutyl-d-3 propionate. Pentanoic acid, 2-methylbutyl ester. 2-methylbutyl pentanoate-d-3. Glutaric acid, 2-methylbutyl propyl ester. Butanoic acid, 2-ethyl-, butyl ester. Glutaric acid, butyl 2-methylbutyl ester. Glutaric acid, ethyl 2-methylbutyl ester. Butanedioic acid, ethyl-(2-methyl-1-butyl) ester. 2-methylbutyl 2-methylbutanoate-d-3.

Find more compounds similar to Butanoic acid, 2-methylbutyl ester.

Sources

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