Chemical Properties of Pentadecanoic acid, 3-methylbutyl ester (CAS 2306-91-4)

Pentadecanoic acid, 3-methylbutyl ester

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InChI
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
InChI Key
XDOGFYDZGUDBQY-UHFFFAOYSA-N
Formula
C15H30O2
SMILES
CCCCCCCCCC(=O)OCCC(C)C
Molecular Weight1
242.40
CAS
2306-91-4
Other Names
  • iso-Amyl n-decanoate
  • 3-Methylbuthyl ester of pentadecanoic acid
  • 3-Methylbutyl decanoate
  • Isoamyl decanoate
  • Isopentyl decanoate
  • 3-Methylbuthyl ester pentadecanoic acid
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Physical Properties

Property Value Unit Source
Δf -160.94 kJ/mol Joback Calculated Property
Δfgas -603.01 kJ/mol Joback Calculated Property
Δfus 33.87 kJ/mol Joback Calculated Property
Δvap 57.75 kJ/mol Joback Calculated Property
log10WS -4.72 Crippen Calculated Property
logPoct/wat 4.716 Crippen Calculated Property
McVol 229.650 ml/mol McGowan Calculated Property
Pc 1474.75 kPa Joback Calculated Property
Inp [1615.00; 1653.40]   Show Hide
Inp Outlier 1615.00 NIST
Inp 1653.40 NIST
Inp 1647.00 NIST
Inp 1627.00 NIST
Inp 1647.00 NIST
Inp 1649.00 NIST
Inp 1651.00 NIST
Inp 1644.00 NIST
Inp 1641.00 NIST
Inp 1646.00 NIST
Inp 1633.00 NIST
Inp 1633.00 NIST
Inp 1644.00 NIST
Inp 1644.00 NIST
Inp 1646.00 NIST
I [1840.00; 1871.00]   Show Hide
I 1863.00 NIST
I 1859.00 NIST
I 1851.00 NIST
I 1859.00 NIST
I 1863.00 NIST
I 1864.00 NIST
I 1866.00 NIST
I 1868.00 NIST
I 1871.00 NIST
I 1863.00 NIST
I 1871.00 NIST
I 1856.00 NIST
I 1861.00 NIST
I 1853.00 NIST
I 1848.00 NIST
I Outlier 1840.00 NIST
I 1864.00 NIST
Tboil 618.45 K Joback Calculated Property
Tc 788.43 K Joback Calculated Property
Tfus 315.97 K Joback Calculated Property
Vc 0.893 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [621.09; 716.38] J/mol×K [618.45; 788.43] Show Hide
Cp,gas 621.09 J/mol×K 618.45 Joback Calculated Property
Cp,gas 638.80 J/mol×K 646.78 Joback Calculated Property
Cp,gas 655.75 J/mol×K 675.11 Joback Calculated Property
Cp,gas 671.98 J/mol×K 703.44 Joback Calculated Property
Cp,gas 687.48 J/mol×K 731.77 Joback Calculated Property
Cp,gas 702.28 J/mol×K 760.10 Joback Calculated Property
Cp,gas 716.38 J/mol×K 788.43 Joback Calculated Property
η [0.0001278; 0.0034492] Pa×s [315.97; 618.45] Show Hide
η 0.0034492 Pa×s 315.97 Joback Calculated Property
η 0.0013649 Pa×s 366.38 Joback Calculated Property
η 0.0006759 Pa×s 416.80 Joback Calculated Property
η 0.0003895 Pa×s 467.21 Joback Calculated Property
η 0.0002499 Pa×s 517.62 Joback Calculated Property
η 0.0001735 Pa×s 568.04 Joback Calculated Property
η 0.0001278 Pa×s 618.45 Joback Calculated Property

Similar Compounds

isopentyl stearate. 3-methylbutyl tetradecanoate. Nonanoic acid, 3-methylbutyl ester. Isoamyl laurate. Isoamyl undecanoate. 3-methylbutyl hexadecanoate. Octanoic acid, 3-methylbutyl ester. Heptanoic acid, 3-methylbutyl ester. Sebacic acid, di(3-methylbutyl) ester. Isopentyl hexanoate. Pimelic acid, di(3-methylbutyl) ester. Sebacic acid, butyl 3-methylbutyl ester. Sebacic acid, 3-methylbutyl propyl ester. Pimelic acid, butyl 3-methylbutyl ester. Pimelic acid, ethyl 3-methylbutyl ester.

Find more compounds similar to Pentadecanoic acid, 3-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.