Chemical Properties of Heptanoic acid, octyl ester (CAS 5132-75-2)

Heptanoic acid, octyl ester

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InChI
InChI=1S/C15H30O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h3-14H2,1-2H3
InChI Key
XAZROQGRFWCMBU-UHFFFAOYSA-N
Formula
C15H30O2
SMILES
CCCCCCCCOC(=O)CCCCCC
Molecular Weight1
242.40
CAS
5132-75-2
Other Names
  • octyl heptanoate
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Physical Properties

Property Value Unit Source
Δf -158.50 kJ/mol Joback Calculated Property
Δfgas -597.73 kJ/mol Joback Calculated Property
Δfus 37.39 kJ/mol Joback Calculated Property
Δvap 58.14 kJ/mol Joback Calculated Property
log10WS -4.96 Crippen Calculated Property
logPoct/wat 4.861 Crippen Calculated Property
McVol 229.650 ml/mol McGowan Calculated Property
Pc 1465.73 kPa Joback Calculated Property
Tboil [563.60; 563.90] K Show Hide
Tboil 563.90 ± 1.00 K NIST
Tboil 563.60 ± 5.00 K NIST
Tc 786.41 K Joback Calculated Property
Tfus 251.70 ± 1.00 K NIST
Vc 0.899 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [620.74; 714.65] J/mol×K [618.89; 786.41] Show Hide
Cp,gas 620.74 J/mol×K 618.89 Joback Calculated Property
Cp,gas 638.14 J/mol×K 646.81 Joback Calculated Property
Cp,gas 654.83 J/mol×K 674.73 Joback Calculated Property
Cp,gas 670.81 J/mol×K 702.65 Joback Calculated Property
Cp,gas 686.10 J/mol×K 730.57 Joback Calculated Property
Cp,gas 700.70 J/mol×K 758.49 Joback Calculated Property
Cp,gas 714.65 J/mol×K 786.41 Joback Calculated Property
η [0.0001371; 0.0025922] Pa×s [330.97; 618.89] Show Hide
η 0.0025922 Pa×s 330.97 Joback Calculated Property
η 0.0011647 Pa×s 378.96 Joback Calculated Property
η 0.0006264 Pa×s 426.94 Joback Calculated Property
η 0.0003819 Pa×s 474.93 Joback Calculated Property
η 0.0002549 Pa×s 522.92 Joback Calculated Property
η 0.0001822 Pa×s 570.90 Joback Calculated Property
η 0.0001371 Pa×s 618.89 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [427.52; 596.94] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50916e+01
Coefficient B-4.88256e+03
Coefficient C-9.77060e+01
Temperature range, min.427.52
Temperature range, max.596.94
Pvap 1.33 kPa 427.52 Calculated Property
Pvap 2.97 kPa 446.34 Calculated Property
Pvap 6.08 kPa 465.17 Calculated Property
Pvap 11.61 kPa 483.99 Calculated Property
Pvap 20.89 kPa 502.82 Calculated Property
Pvap 35.67 kPa 521.64 Calculated Property
Pvap 58.21 kPa 540.47 Calculated Property
Pvap 91.26 kPa 559.29 Calculated Property
Pvap 138.14 kPa 578.12 Calculated Property
Pvap 202.65 kPa 596.94 Calculated Property

Similar Compounds

Pimelic acid, nonyl tetradecyl ester. Pimelic acid, heptadecyl hexyl ester. dodecyl docosanoate. Tetradecanoic acid, eicosyl ester. didodecyl sebacate. Octadecanoic acid, eicosyl ester. hexyl docosanoate. Pimelic acid, hexadecyl pentyl ester. Pimelic acid, hexyl pentadecyl ester. Dodecanoic acid, n.-octyl ester. Nonanoic acid, undecyl ester. nonyl laurate. Pentadecanoic acid, hexyl ester. Nonanoic acid, dodecyl ester. Pimelic acid, nonyl pentyl ester.

Find more compounds similar to Heptanoic acid, octyl ester.

Sources

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