Chemical Properties of Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester (CAS 100996-43-8)

Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester

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InChI
InChI=1S/C27H44O6/c1-26(2)22-18(12-10-16-30-22)24(26)32-20(28)14-8-6-5-7-9-15-21(29)33-25-19-13-11-17-31-23(19)27(25,3)4/h18-19,22-25H,5-17H2,1-4H3
InChI Key
BKZWWJZOYXKLFW-UHFFFAOYSA-N
Formula
C27H44O6
SMILES
CC1(C)C2OCCCC2C1OC(=O)CCCCCCCC(=O)OC1C2CCCOC2C1(C)C
Molecular Weight1
464.63
CAS
100996-43-8
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Physical Properties

Property Value Unit Source
ΔfG° -310.84 kJ/mol Joback Calculated Property
ΔfH°gas -1138.53 kJ/mol Joback Calculated Property
ΔfusH° 63.05 kJ/mol Joback Calculated Property
ΔvapH° 99.83 kJ/mol Joback Calculated Property
log10WS -6.08 Crippen Calculated Property
logPoct/wat 5.211 Crippen Calculated Property
McVol 374.470 ml/mol McGowan Calculated Property
Pc 1002.71 kPa Joback Calculated Property
Tboil 1049.48 K Joback Calculated Property
Tc 1285.69 K Joback Calculated Property
Tfus 680.03 K Joback Calculated Property
Vc 1.425 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1474.00; 1692.68] J/mol×K [1049.48; 1285.69] Show Hide
Cp,gas 1474.00 J/mol×K 1049.48 Joback Calculated Property
Cp,gas 1506.78 J/mol×K 1088.85 Joback Calculated Property
Cp,gas 1540.57 J/mol×K 1128.22 Joback Calculated Property
Cp,gas 1575.72 J/mol×K 1167.59 Joback Calculated Property
Cp,gas 1612.56 J/mol×K 1206.95 Joback Calculated Property
Cp,gas 1651.43 J/mol×K 1246.32 Joback Calculated Property
Cp,gas 1692.68 J/mol×K 1285.69 Joback Calculated Property

Similar Compounds

3,3-Dimethyl-5-0xa bicyclo[2.4.0]octan-2-ol. «alpha»-Kessyl hexanoate. Glutaric acid, 2-norbornyl 2-ethylhexyl ester. Glutaric acid, 2-ethylhexyl 2-methylhex-3-yl ester. Glutaric acid, 2-methylhex-3-yl 2-propylpentyl ester. Glutaric acid, 4-methylhept-3-yl tridecyl ester. Glutaric acid, 4-methylhept-3-yl undecyl ester. Glutaric acid, decyl 4-methylhept-3-yl ester. Glutaric acid, dodecyl 4-methylhept-3-yl ester. Glutaric acid, 4-methylhept-3-yl octyl ester. Glutaric acid, 4-methylhept-3-yl tetradecyl ester. Glutaric acid, 4-methylhept-3-yl pentadecyl ester. Glutaric acid, hexadecyl 4-methylhept-3-yl ester. Glutaric acid, 4-methylhept-3-yl nonyl ester. Homocholic acid, acetate-methyl ester.

Find more compounds similar to Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester.

Sources

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