Chemical Properties of n-Caprylic acid isobutyl ester (CAS 5461-06-3)

n-Caprylic acid isobutyl ester

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InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChI Key
CFQRBRGFNFRMBD-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCCCCCCC(=O)OCC(C)C
Molecular Weight1
200.32
CAS
5461-06-3
Other Names
  • Octanoic acid, 2-methylpropyl ester
  • iso-Butyl caprylate
  • Octanoic acid, isobutyl ester
  • iso-Butyl n-octanoate
  • Isobutyl octanoate
  • 2-Methylpropyl octanoate
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Physical Properties

Property Value Unit Source
Δf -186.20 kJ/mol Joback Calculated Property
Δfgas -541.09 kJ/mol Joback Calculated Property
Δfus 26.10 kJ/mol Joback Calculated Property
Δvap 51.07 kJ/mol Joback Calculated Property
log10WS -3.47 Crippen Calculated Property
logPoct/wat 3.546 Crippen Calculated Property
McVol 187.380 ml/mol McGowan Calculated Property
Pc 1864.33 kPa Joback Calculated Property
Inp [1327.00; 1351.00]   Show Hide
Inp 1334.00 NIST
Inp 1334.00 NIST
Inp 1334.00 NIST
Inp 1348.00 NIST
Inp 1348.00 NIST
Inp 1348.10 NIST
Inp 1348.00 NIST
Inp 1345.00 NIST
Inp Outlier 1327.00 NIST
Inp 1348.00 NIST
Inp 1350.00 NIST
Inp 1351.00 NIST
Inp 1348.00 NIST
Inp 1338.00 NIST
Inp 1348.00 NIST
I [1537.00; 1561.00]   Show Hide
I 1551.00 NIST
I 1561.00 NIST
I 1550.00 NIST
I 1551.00 NIST
I 1537.00 NIST
I 1545.00 NIST
I 1537.00 NIST
I 1545.00 NIST
I 1551.00 NIST
I 1550.00 NIST
I 1543.00 NIST
I 1561.00 NIST
I 1550.00 NIST
Tboil 549.81 K Joback Calculated Property
Tc 722.69 K Joback Calculated Property
Tfus 282.16 K Joback Calculated Property
Vc 0.726 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [464.44; 551.11] J/mol×K [549.81; 722.69] Show Hide
Cp,gas 464.44 J/mol×K 549.81 Joback Calculated Property
Cp,gas 480.46 J/mol×K 578.62 Joback Calculated Property
Cp,gas 495.83 J/mol×K 607.44 Joback Calculated Property
Cp,gas 510.57 J/mol×K 636.25 Joback Calculated Property
Cp,gas 524.69 J/mol×K 665.07 Joback Calculated Property
Cp,gas 538.20 J/mol×K 693.88 Joback Calculated Property
Cp,gas 551.11 J/mol×K 722.69 Joback Calculated Property
η [0.0001764; 0.0042661] Pa×s [282.16; 549.81] Show Hide
η 0.0042661 Pa×s 282.16 Joback Calculated Property
η 0.0017460 Pa×s 326.77 Joback Calculated Property
η 0.0008857 Pa×s 371.38 Joback Calculated Property
η 0.0005197 Pa×s 415.99 Joback Calculated Property
η 0.0003381 Pa×s 460.59 Joback Calculated Property
η 0.0002373 Pa×s 505.20 Joback Calculated Property
η 0.0001764 Pa×s 549.81 Joback Calculated Property

Similar Compounds

Docosanoic acid, isobutyl ester. Octadecanoic acid, 2-methylpropyl ester. Isobutyl pentadecanoate. Nonanoic acid, 2-methylpropyl ester. Isobutyl nonadecanoate. Undecanoic acid, isobutyl ester. Eicosanoic acid, isobutyl ester. Isobutyl laurate. Tridecanoic acid, isobutyl ester. Heptadecanoic acid, isobutyl ester. Hexadecanoic acid, 2-methylpropyl ester. Heneicosanoic acid, isobutyl ester. Myristic acid isobutyl ester. n-Capric acid isobutyl ester. Heptanoic acid, 2-methylpropyl ester.

Find more compounds similar to n-Caprylic acid isobutyl ester.

Sources

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