Chemical Properties of Isobornyl laureate

Isobornyl laureate

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InChI
InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-14-20(23)24-19-17-18-15-16-22(19,4)21(18,2)3/h18-19H,5-17H2,1-4H3
InChI Key
SABGETNXHUZLDJ-UHFFFAOYSA-N
Formula
C22H40O2
SMILES
CCCCCCCCCCCC(=O)OC1CC2CCC1(C)C2(C)C
Molecular Weight1
336.55
Sources

Physical Properties

Property Value Unit Source
Δf -16.56 kJ/mol Joback Calculated Property
Δfgas -612.97 kJ/mol Joback Calculated Property
Δfus 39.24 kJ/mol Joback Calculated Property
Δvap 70.80 kJ/mol Joback Calculated Property
logPoct/wat 6.67 Crippen Calculated Property
Pc 1129.86 kPa Joback Calculated Property
Tboil 787.94 K Joback Calculated Property
Tc 981.82 K Joback Calculated Property
Tfus 481.54 K Joback Calculated Property
Vc 1.19 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1001.48 J/mol×K 787.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 4
-CH2- 10
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 2
-CH2- (ring) 3

Similar Compounds

Isobornyl caprate. Bornyl hexanoate. Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Bornyl butyrate. Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. Isobornyl isovalerate. Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-. Bornyl isovalerate. Isobornyl propionate. Bornyl propanoate. Butanoic acid, 2-methyl, bornyl ester. isobornyl2-methylbutanoate. Bornyl 2-methylbutanoate. exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate. 6-hydroxy-Isobornyl Isobutyrate.

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