Chemical Properties of Hexanoic acid, 2-methylbutyl ester (CAS 2601-13-0)

Hexanoic acid, 2-methylbutyl ester

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InChI
InChI=1S/C11H22O2/c1-4-6-7-8-11(12)13-9-10(3)5-2/h10H,4-9H2,1-3H3
InChI Key
ZWMQVDONBUJJLL-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCC(=O)OCC(C)CC
Molecular Weight1
186.29
CAS
2601-13-0
Other Names
  • 2-Methylbutyl caproate
  • 2-methylbutyl hexanoate
  • active amyl hexanoate
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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 [1196.00; 1253.00]   Show Hide
Inp 1236.00 NIST
Inp 1240.00 NIST
Inp 1236.00 NIST
Inp 1236.00 NIST
Inp Outlier 1196.00 NIST
Inp 1247.00 NIST
Inp 1247.00 NIST
Inp 1247.00 NIST
Inp 1253.00 NIST
Inp 1231.00 NIST
Inp 1246.00 NIST
Inp 1231.00 NIST
Inp Outlier 1196.00 NIST
I [1418.00; 1458.00]   Show Hide
I 1458.00 NIST
I 1451.00 NIST
I 1445.00 NIST
I Outlier 1418.00 NIST
I 1445.00 NIST
I 1458.00 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

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

Find more compounds similar to Hexanoic acid, 2-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.