Chemical Properties of Sebacic acid, isohexyl 3-methylbutyl ester

Sebacic acid, isohexyl 3-methylbutyl ester

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InChI
InChI=1S/C21H40O4/c1-18(2)12-11-16-24-20(22)13-9-7-5-6-8-10-14-21(23)25-17-15-19(3)4/h18-19H,5-17H2,1-4H3
InChI Key
KIDGODGHYCHNQH-UHFFFAOYSA-N
Formula
C21H40O4
SMILES
CC(C)CCCOC(=O)CCCCCCCCC(=O)OCCC(C)C
Molecular Weight1
356.54
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Physical Properties

Property Value Unit Source
Δf -346.78 kJ/mol Joback Calculated Property
Δfgas -976.93 kJ/mol Joback Calculated Property
Δfus 48.67 kJ/mol Joback Calculated Property
Δvap 79.88 kJ/mol Joback Calculated Property
log10WS -5.85 Crippen Calculated Property
logPoct/wat 5.676 Crippen Calculated Property
McVol 321.630 ml/mol McGowan Calculated Property
Pc 1023.34 kPa Joback Calculated Property
Inp 2414.00 NIST
Tboil 831.58 K Joback Calculated Property
Tc 1019.89 K Joback Calculated Property
Tfus 440.75 K Joback Calculated Property
Vc 1.248 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1031.20; 1127.14] J/mol×K [831.58; 1019.89] Show Hide
Cp,gas 1031.20 J/mol×K 831.58 Joback Calculated Property
Cp,gas 1049.98 J/mol×K 862.97 Joback Calculated Property
Cp,gas 1067.62 J/mol×K 894.35 Joback Calculated Property
Cp,gas 1084.13 J/mol×K 925.74 Joback Calculated Property
Cp,gas 1099.54 J/mol×K 957.12 Joback Calculated Property
Cp,gas 1113.87 J/mol×K 988.51 Joback Calculated Property
Cp,gas 1127.14 J/mol×K 1019.89 Joback Calculated Property
η [0.0000387; 0.0010562] Pa×s [440.75; 831.58] Show Hide
η 0.0010562 Pa×s 440.75 Joback Calculated Property
η 0.0004270 Pa×s 505.89 Joback Calculated Property
η 0.0002123 Pa×s 571.03 Joback Calculated Property
η 0.0001217 Pa×s 636.16 Joback Calculated Property
η 0.0000774 Pa×s 701.30 Joback Calculated Property
η 0.0000532 Pa×s 766.44 Joback Calculated Property
η 0.0000387 Pa×s 831.58 Joback Calculated Property

Similar Compounds

Adipic acid, isohexyl 3-methylbutyl ester. Sebacic acid, diisohexyl ester. Sebacic acid, butyl isohexyl ester. Sebacic acid, isohexyl pentadecyl ester. Sebacic acid, isohexyl octyl ester. Nonanoic acid, isohexyl ester. Sebacic acid, dodecyl isohexyl ester. Sebacic acid, isohexyl undecyl ester. Sebacic acid, decyl isohexyl ester. Sebacic acid, isohexyl tetradecyl ester. Sebacic acid, isohexyl pentyl ester. Sebacic acid, nonyl isohexyl ester. Sebacic acid, hexyl isohexyl ester. Sebacic acid, heptyl isohexyl ester. 4-Methylpentyl 8-methylnonanoate.

Find more compounds similar to Sebacic acid, isohexyl 3-methylbutyl ester.

Sources

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