Chemical Properties of Isopentyl hexanoate (CAS 2198-61-0)

Isopentyl hexanoate

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InChI
InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChI Key
XVSZRAWFCDHCBP-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCC(=O)OCCC(C)C
Molecular Weight1
186.29
CAS
2198-61-0
Other Names
  • Isoamyl caproate
  • Hexanoic acid, 3-methylbutyl ester
  • Hexanoic acid, isopentyl ester
  • Isoamyl hexanoate
  • Isopentyl-n-hexanoate
  • iso-Amyl n-hexanoate
  • 3-Methylbutyl hexanoate
  • Caproic acid isopentyl ester
  • Isopentyl caproate

Physical Properties

Property Value Unit Source
Δf -194.62 kJ/mol Joback Calculated Property
Δfgas -520.45 kJ/mol Joback Calculated Property
Δfus 23.51 kJ/mol Joback Calculated Property
Δvap 48.85 kJ/mol Joback Calculated Property
log10WS -3.05 Crippen Calculated Property
logPoct/wat 3.156 Crippen Calculated Property
McVol 173.290 ml/mol McGowan Calculated Property
Pc 2029.06 kPa Joback Calculated Property
Inp [1227.00; 1262.00]   Show Hide
Inp Outlier 1227.00 NIST
Inp 1252.00 NIST
Inp 1238.00 NIST
Inp 1233.00 NIST
Inp 1236.00 NIST
Inp 1258.00 NIST
Inp 1244.00 NIST
Inp 1250.00 NIST
Inp 1253.00 NIST
Inp 1238.00 NIST
Inp 1238.00 NIST
Inp 1240.00 NIST
Inp 1250.90 NIST
Inp 1242.00 NIST
Inp 1242.00 NIST
Inp 1254.00 NIST
Inp 1253.00 NIST
Inp 1238.00 NIST
Inp 1254.00 NIST
Inp 1249.00 NIST
Inp 1229.00 NIST
Inp 1251.00 NIST
Inp 1260.00 NIST
Inp 1262.00 NIST
Inp 1249.00 NIST
Inp 1254.00 NIST
Inp 1254.00 NIST
Inp 1232.00 NIST
Inp 1234.00 NIST
Inp 1232.00 NIST
Inp 1234.00 NIST
Inp 1234.00 NIST
Inp 1250.00 NIST
Inp 1253.00 NIST
Inp 1255.00 NIST
Inp 1254.00 NIST
Inp 1252.00 NIST
Inp 1254.00 NIST
Inp 1258.00 NIST
Inp 1238.00 NIST
Inp 1252.00 NIST
Inp 1233.00 NIST
Inp 1250.00 NIST
Inp 1238.00 NIST
Inp 1247.00 NIST
Inp 1243.00 NIST
Inp 1238.00 NIST
Inp 1252.00 NIST
Inp 1250.00 NIST
Inp 1254.00 NIST
Inp 1253.00 NIST
Inp 1251.00 NIST
Inp 1234.00 NIST
I [1429.00; 1503.00]   Show Hide
I 1453.00 NIST
I 1464.00 NIST
I 1469.00 NIST
I 1453.00 NIST
I 1452.00 NIST
I 1447.00 NIST
I 1447.00 NIST
I 1447.00 NIST
I 1450.00 NIST
I Outlier 1503.00 NIST
I 1458.00 NIST
I 1450.00 NIST
I 1429.00 NIST
I 1460.00 NIST
I 1430.00 NIST
I 1456.00 NIST
I 1456.00 NIST
I 1467.00 NIST
I 1450.00 NIST
I 1450.00 NIST
I 1450.00 NIST
I 1437.00 NIST
I 1451.00 NIST
I 1468.00 NIST
I 1451.00 NIST
I 1440.00 NIST
I 1445.00 NIST
I 1451.00 NIST
Tboil 526.93 K Joback Calculated Property
Tc 701.19 K Joback Calculated Property
Tfus 270.89 K Joback Calculated Property
Vc 0.669 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [415.48; 498.48] J/mol×K [526.93; 701.19] Show Hide
Cp,gas 415.48 J/mol×K 526.93 Joback Calculated Property
Cp,gas 430.78 J/mol×K 555.97 Joback Calculated Property
Cp,gas 445.49 J/mol×K 585.02 Joback Calculated Property
Cp,gas 459.60 J/mol×K 614.06 Joback Calculated Property
Cp,gas 473.13 J/mol×K 643.11 Joback Calculated Property
Cp,gas 486.09 J/mol×K 672.15 Joback Calculated Property
Cp,gas 498.48 J/mol×K 701.19 Joback Calculated Property
η [0.0001937; 0.0044896] Pa×s [270.89; 526.93] Show Hide
η 0.0044896 Pa×s 270.89 Joback Calculated Property
η 0.0018616 Pa×s 313.56 Joback Calculated Property
η 0.0009531 Pa×s 356.24 Joback Calculated Property
η 0.0005632 Pa×s 398.91 Joback Calculated Property
η 0.0003684 Pa×s 441.58 Joback Calculated Property
η 0.0002597 Pa×s 484.26 Joback Calculated Property
η 0.0001937 Pa×s 526.93 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Isopentyl hexanoate.

Sources

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