Chemical Properties of 1-tert-Butoxypropan-2-yl 3,5,5-trimethylhexanoate

1-tert-Butoxypropan-2-yl 3,5,5-trimethylhexanoate

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InChI
InChI=1S/C16H32O3/c1-12(10-15(3,4)5)9-14(17)19-13(2)11-18-16(6,7)8/h12-13H,9-11H2,1-8H3
InChI Key
WOBCBGRPPLPSMU-UHFFFAOYSA-N
Formula
C16H32O3
SMILES
CC(CC(=O)OC(C)COC(C)(C)C)CC(C)(C)C
Molecular Weight1
272.42
Sources

Physical Properties

Property Value Unit Source
Δf -254.28 kJ/mol Joback Calculated Property
Δfgas -778.65 kJ/mol Joback Calculated Property
Δfus 19.30 kJ/mol Joback Calculated Property
Δvap 59.41 kJ/mol Joback Calculated Property
logPoct/wat 4.20 Crippen Calculated Property
Pc 1401.69 kPa Joback Calculated Property
Tboil 656.85 K Joback Calculated Property
Tc 843.52 K Joback Calculated Property
Tfus 339.31 K Joback Calculated Property
Vc 0.94 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 712.21 J/mol×K 656.85 Joback Calculated Property
η 0.00 Pa×s 656.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 1
-CH2- 3
>C< 2
-CH3 8

Similar Compounds

1-(1-Methoxypropan-2-yloxy)propan-2-yl 3,5,5-trimethylhexanoate. 1-Propoxypropan-2-yl 3,5,5-trimethylhexanoate. 1-Butoxypropan-2-yl 3,5,5-trimethylhexanoate. 1-(1-Butoxypropan-2-yloxy)propan-2-yl 3,5,5-trimethylhexanoate. 2-Ethoxyethyl 3,5,5-trimethylhexanoate. 2-Butoxyethyl 3,5,5-trimethylhexanoate. Ethane-1,2-diyl bis(3,5,5-trimethylhexanoate). 2-Methoxyethyl 3,5,5-trimethylhexanoate. 2-(2-Ethoxyethoxy)ethyl 3,5,5-trimethylhexanoate. 2-(2-Butoxyethoxy)ethyl 3,5,5-trimethylhexanoate. 2-(2-Methoxyethoxy)ethyl 3,5,5-trimethylhexanoate. 2-(2-(2-Methoxyethoxy)ethoxy)ethyl 3,5,5-trimethylhexanoate. 1-tert-Butoxypropan-2-yl nonanoate. Hexanoic acid, 3,5,5-trimethyl-, isopropyl ester. 1-(1-Methoxypropan-2-yloxy)propan-2-yl nonanoate.

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