Chemical Properties of Butanoic acid, 3-methyl-, hexyl ester (CAS 10032-13-0)

Butanoic acid, 3-methyl-, hexyl ester

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InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
InChI Key
RSDDTPVXLMVLQE-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCCOC(=O)CC(C)C
Molecular Weight1
186.29
CAS
10032-13-0
Other Names
  • 3-Methylbutanoic acid hexyl ester
  • 3-Methylbutyric acid hexyl ester
  • Hexyl 3-methylbutanoate
  • Hexyl 3-methylbutyrate
  • Hexyl isopentanoate
  • Hexyl isovalerate
  • Isovaleric acid, hexyl ester
  • n-Hexyl iso-valerate
  • n-Hexyl isopentanoate
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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 [1204.00; 1245.00]   Show Hide
Inp Outlier 1204.00 NIST
Inp 1243.00 NIST
Inp 1242.00 NIST
Inp Outlier 1204.00 NIST
Inp 1245.00 NIST
Inp 1245.00 NIST
Inp 1222.00 NIST
Inp 1244.00 NIST
Inp 1242.00 NIST
Inp 1245.00 NIST
Inp 1244.00 NIST
Inp 1244.00 NIST
Inp 1240.00 NIST
Inp 1243.00 NIST
Inp 1224.00 NIST
Inp 1227.00 NIST
Inp 1224.00 NIST
Inp 1227.00 NIST
Inp 1226.00 NIST
Inp 1244.00 NIST
Inp Outlier 1204.00 NIST
Inp 1225.00 NIST
Inp 1225.00 NIST
Inp 1243.00 NIST
Inp 1244.00 NIST
I [1425.00; 1457.00]   Show Hide
I 1425.00 NIST
I 1425.00 NIST
I 1445.00 NIST
I 1430.00 NIST
I 1450.00 NIST
I 1447.00 NIST
I 1444.00 NIST
I 1430.00 NIST
I 1432.00 NIST
I 1457.00 NIST
I 1442.00 NIST
I 1430.00 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

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [368.52; 524.78] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46887e+01
Coefficient B-4.20028e+03
Coefficient C-7.68560e+01
Temperature range, min.368.52
Temperature range, max.524.78
Pvap 1.33 kPa 368.52 Calculated Property
Pvap 2.99 kPa 385.88 Calculated Property
Pvap 6.17 kPa 403.24 Calculated Property
Pvap 11.82 kPa 420.61 Calculated Property
Pvap 21.27 kPa 437.97 Calculated Property
Pvap 36.26 kPa 455.33 Calculated Property
Pvap 59.00 kPa 472.69 Calculated Property
Pvap 92.15 kPa 490.06 Calculated Property
Pvap 138.84 kPa 507.42 Calculated Property
Pvap 202.65 kPa 524.78 Calculated Property

Similar Compounds

Hexyl isovalerate. Heptyl isopentanoate. Isovaleric acid, undecyl ester. Butanoic acid, 3-methyl-, octyl ester. Isovaleric acid, tridecyl ester. Isovaleric acid, octadecyl ester. Isovaleric acid, tetradecyl ester. Isovaleric acid, nonadecyl ester. Docosyl, isovalerate. Isovaleric acid, heptadecyl ester. Isovaleric acid, tetracosyl ester. Isovaleric acid, decyl ester. Isovaleric acid, nonyl ester. Isovaleric acid, pentadecyl ester. Isovaleric acid, eicosyl ester.

Find more compounds similar to Butanoic acid, 3-methyl-, hexyl ester.

Sources

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