Chemical Properties of Propanoic acid, 2-methyl-, pentyl ester (CAS 2445-72-9)

Propanoic acid, 2-methyl-, pentyl ester

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InChI
InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
InChI Key
UYGGIIOLYXRSQY-UHFFFAOYSA-N
Formula
C9H18O2
SMILES
CCCCCOC(=O)C(C)C
Molecular Weight1
158.24
CAS
2445-72-9
Other Names
  • 1-Pentyl isobutyrate
  • Amyl isobutyrate
  • Isobutyric acid, pentyl ester
  • N-Amyl iso-butyrate
  • Penthyl iso-butyrate
  • Pentyl isobutanoate
  • Pentyl isobutyrate
  • n-Pentyl isobutyrate
  • pentyl 2-methylpropanoate
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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 [996.00; 1057.00]   Show Hide
Inp 1038.00 NIST
Inp 1038.10 NIST
Inp 1024.00 NIST
Inp 1034.00 NIST
Inp 1032.00 NIST
Inp 1032.00 NIST
Inp Outlier 996.00 NIST
Inp 1057.00 NIST
Inp 1057.00 NIST
Inp 999.00 NIST
Inp 1039.00 NIST
Inp 1040.00 NIST
Inp 1057.00 NIST
Inp 1024.00 NIST
Inp 1012.00 NIST
Inp 1057.00 NIST
Inp 1033.00 NIST
Inp 1056.00 NIST
Inp 1012.00 NIST
Inp 1056.00 NIST
Inp 1054.00 NIST
Inp 1054.00 NIST
Inp 1009.00 NIST
Inp 1035.00 NIST
Inp 1024.00 NIST
Inp 1035.00 NIST
I [1237.00; 1247.00]   Show Hide
I 1241.00 NIST
I 1247.00 NIST
I 1237.00 NIST
I 1237.00 NIST
Tboil 416.00 ± 2.00 K NIST
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

Propanoic acid, 2-methyl-, hexyl ester. Propanoic acid, 2-methyl-, heptyl ester. Propanoic acid, 2-methyl-, octyl ester. Propanoic acid, 2-methyl-, nonyl ester. Propanoic acid, 2-methyl-, decyl ester. Eicosyl isobutyrate. 4-methylpentyl isobutyrate. Propanoic acid, 2,2-dimethyl-, pentyl ester. Propanoic acid, pentyl ester. Propanoic acid, 2-methyl-, butyl ester. Propanoic acid, hexyl ester. hexyl-d3 proprionate. Propanoic acid, 2,2-dimethyl-, hexyl ester. 4-Methylhexyl isobutyrate. Propanoic acid, heptyl ester.

Find more compounds similar to Propanoic acid, 2-methyl-, pentyl ester.

Sources

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