Chemical Properties of 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monoacetate (CAS 116373-49-0)

1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monoacetate

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InChI
InChI=1S/C10H18O3/c1-6(11)13-8-9(2,3)7(12)10(8,4)5/h7-8,12H,1-5H3
InChI Key
VPAHAVKFSSDLPN-UHFFFAOYSA-N
Formula
C10H18O3
SMILES
CC(=O)OC1C(C)(C)C(O)C1(C)C
Molecular Weight1
186.25
CAS
116373-49-0
Sources

Physical Properties

Property Value Unit Source
Δf -322.88 kJ/mol Joback Calculated Property
Δfgas -610.66 kJ/mol Joback Calculated Property
Δfus 15.18 kJ/mol Joback Calculated Property
Δvap 60.55 kJ/mol Joback Calculated Property
logPoct/wat 1.34 Crippen Calculated Property
Pc 2787.66 kPa Joback Calculated Property
Tboil 594.15 K Joback Calculated Property
Tc 787.83 K Joback Calculated Property
Tfus 384.94 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 416.57 J/mol×K 594.15 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 5
-OH (alcohol) 1
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 2

Similar Compounds

Trans-1,3-cyclobutanediol, 2,2,4,4-tetramethyl-, diacetate. 2,2,4-Trimethyl-1,3-pentanediol diacetate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monohexanoate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monopelargonate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, monoformate. 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, mono(2-ethylhexanoate). Propionic acid, (2,2,4,4-tetramethylcyclobutane dioxy)bis-. 1,3-Cyclobutanediol, 2,2,4,4-tetramethyl-, nonanoate, 2-ethylhexanoate. 1,3-Cyclobutanediol, 2,4-diethyl-2,4-dimethyl-, dipelargonate. 3-hydroxy-2,2,4-trimethylpentyl isobutyrate. 2,4,4-Trimethylpentane-1,3-diol diisobutyrate. Nonanedioic acid, bis(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl) ester. 2-Methylpropanoic acid, 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl ester. 2,2-dimethyl-1-(2-hydroxy-1-methylethyl)propyl-2-methylpropanoate.

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