Chemical Properties of 1,3-Butanediol, dibenzoate

1,3-Butanediol, dibenzoate

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InChI
InChI=1S/C18H18O4/c1-14(22-18(20)16-10-6-3-7-11-16)12-13-21-17(19)15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChI Key
HVWZDMVPWXVEBP-UHFFFAOYSA-N
Formula
C18H18O4
SMILES
CC(CCOC(=O)c1ccccc1)OC(=O)c1ccccc1
Molecular Weight1
298.33
Sources

Physical Properties

Property Value Unit Source
Δf -144.78 kJ/mol Joback Calculated Property
Δfgas -436.67 kJ/mol Joback Calculated Property
Δfus 32.51 kJ/mol Joback Calculated Property
Δvap 78.14 kJ/mol Joback Calculated Property
logPoct/wat 3.48 Crippen Calculated Property
Pc 2096.50 kPa Joback Calculated Property
Tboil 816.74 K Joback Calculated Property
Tc 1048.22 K Joback Calculated Property
Tfus 474.78 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 669.97 J/mol×K 816.74 Joback Calculated Property
η 0.00 Pa×s 816.74 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 3-hydroxy-butyl ester. Benzoic acid, 1-methylpropyl ester. Benzoic acid, hex-3-yl ester. Benzoic acid, hex-2-yl ester. p-Toluic acid, cyclobutyl ester. Benzoic acid, 4-methylpent-2-yl ester. 1,3-Propanediol dibenzoate. Benzoic acid, hept-2-yl ester. Benzoic acid, butyl ester. Benzoic acid, 1,2-dimethylpropyl ester. Benzoic acid, dec-2-yl ester. Benzoic acid, 4,4-dimethylpent-2-yl ester. Benzoic acid, 3-hydroxypropyl ester. Benzoic acid, hept-3-yl ester. 4-Penten-2-ol, benzoate.

Find more compounds similar to 1,3-Butanediol, dibenzoate.

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