Chemical Properties of 2-Methylbutyl octanoate (CAS 67121-39-5)

2-Methylbutyl octanoate

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InChI
InChI=1S/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3
InChI Key
XZLBJDGPIWDVIJ-UHFFFAOYSA-N
Formula
C13H26O2
SMILES
CCCCCCCC(=O)OCC(C)CC
Molecular Weight1
214.34
CAS
67121-39-5
Other Names
  • Octanoic acid, 2-methylbutyl ester
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Physical Properties

Property Value Unit Source
Δf -177.78 kJ/mol Joback Calculated Property
Δfgas -561.73 kJ/mol Joback Calculated Property
Δfus 28.69 kJ/mol Joback Calculated Property
Δvap 53.30 kJ/mol Joback Calculated Property
log10WS -3.88 Crippen Calculated Property
logPoct/wat 3.936 Crippen Calculated Property
McVol 201.470 ml/mol McGowan Calculated Property
Pc 1718.88 kPa Joback Calculated Property
Inp [1430.00; 1453.30]   Show Hide
Inp 1453.30 NIST
Inp 1430.00 NIST
Inp 1444.00 NIST
Inp 1449.00 NIST
Inp 1449.00 NIST
Inp 1449.00 NIST
Inp 1444.00 NIST
Inp 1430.00 NIST
Inp 1453.30 NIST
I [1656.00; 1677.00]   Show Hide
I 1656.00 NIST
I 1657.00 NIST
I 1677.00 NIST
I 1656.00 NIST
I 1657.00 NIST
I 1677.00 NIST
Tboil 572.69 K Joback Calculated Property
Tc 744.36 K Joback Calculated Property
Tfus 293.43 K Joback Calculated Property
Vc 0.781 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [515.10; 605.00] J/mol×K [572.69; 744.36] Show Hide
Cp,gas 515.10 J/mol×K 572.69 Joback Calculated Property
Cp,gas 531.74 J/mol×K 601.30 Joback Calculated Property
Cp,gas 547.70 J/mol×K 629.91 Joback Calculated Property
Cp,gas 563.00 J/mol×K 658.53 Joback Calculated Property
Cp,gas 577.64 J/mol×K 687.14 Joback Calculated Property
Cp,gas 591.64 J/mol×K 715.75 Joback Calculated Property
Cp,gas 605.00 J/mol×K 744.36 Joback Calculated Property
η [0.0001594; 0.0040106] Pa×s [293.43; 572.69] Show Hide
η 0.0040106 Pa×s 293.43 Joback Calculated Property
η 0.0016218 Pa×s 339.97 Joback Calculated Property
η 0.0008156 Pa×s 386.52 Joback Calculated Property
η 0.0004755 Pa×s 433.06 Joback Calculated Property
η 0.0003078 Pa×s 479.60 Joback Calculated Property
η 0.0002152 Pa×s 526.15 Joback Calculated Property
η 0.0001594 Pa×s 572.69 Joback Calculated Property

Similar Compounds

Lauric acid, 2-methylbutyl ester. 2-Methylbutyl decanoate. 2-methylbutyl-d-3 octanoate. Sebacic acid, isobutyl 2-methylbutyl ester. Heptanoic acid, 2-methylbutyl ester. 2-methylbutyl-d-3 heptanoate. Sebacic acid, di(2-methylbutyl) ester. Pimelic acid, isobutyl 2-methylbutyl ester. Pimelic acid, di(2-methylbutyl) ester. 2-methylbutyl-d-3 hexanoate. Hexanoic acid, 2-methylbutyl ester. Sebacic acid, 2-methylbutyl propyl ester. Sebacic acid, butyl 2-methylbutyl ester. Pimelic acid, 2-methylbutyl propyl ester. Sebacic acid, ethyl 2-methylbutyl ester.

Find more compounds similar to 2-Methylbutyl octanoate.

Sources

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