Chemical Properties of Heptanoic acid, 2-methylpropyl ester (CAS 7779-80-8)

Heptanoic acid, 2-methylpropyl ester

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InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3
InChI Key
HXJOYVPESRRCDB-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCCC(=O)OCC(C)C
Molecular Weight1
186.29
CAS
7779-80-8
Other Names
  • Heptanoic acid, isobutyl ester
  • Isobutyl heptanoate
  • Isobutyl heptylate
  • iso-Butyl n-heptanoate
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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 [1227.00; 1239.00]   Show Hide
Inp 1227.00 NIST
Inp 1239.00 NIST
Inp 1239.00 NIST
I [1443.00; 1448.00]   Show Hide
I 1443.00 NIST
I 1448.00 NIST
I 1443.00 NIST
I 1448.00 NIST
I 1448.00 NIST
I 1448.00 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; 202.63] kPa [361.92; 527.25] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40326e+01
Coefficient B-3.94496e+03
Coefficient C-7.49100e+01
Temperature range, min.361.92
Temperature range, max.527.25
Pvap 1.33 kPa 361.92 Calculated Property
Pvap 3.05 kPa 380.29 Calculated Property
Pvap 6.34 kPa 398.66 Calculated Property
Pvap 12.20 kPa 417.03 Calculated Property
Pvap 21.96 kPa 435.40 Calculated Property
Pvap 37.33 kPa 453.77 Calculated Property
Pvap 60.43 kPa 472.14 Calculated Property
Pvap 93.73 kPa 490.51 Calculated Property
Pvap 140.08 kPa 508.88 Calculated Property
Pvap 202.63 kPa 527.25 Calculated Property

Similar Compounds

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

Find more compounds similar to Heptanoic acid, 2-methylpropyl ester.

Sources

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