Chemical Properties of 3-[3-(Benzoyloxy)propoxy]propyl benzoate (CAS 94-51-9)

3-[3-(Benzoyloxy)propoxy]propyl benzoate

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InChI
InChI=1S/C20H22O5/c21-19(17-9-3-1-4-10-17)24-15-7-13-23-14-8-16-25-20(22)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChI Key
BYQDGAVOOHIJQS-UHFFFAOYSA-N
Formula
C20H22O5
SMILES
O=C(OCCCOCCCOC(=O)c1ccccc1)c1ccccc1
Molecular Weight1
342.39
CAS
94-51-9
Other Names
  • 3,3'-oxydipropyl dibenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -230.50 kJ/mol Joback Calculated Property
Δfgas -604.89 kJ/mol Joback Calculated Property
Δfus 42.40 kJ/mol Joback Calculated Property
Δvap 85.39 kJ/mol Joback Calculated Property
logPoct/wat 3.50 Crippen Calculated Property
Pc 1734.67 kPa Joback Calculated Property
Tboil 885.36 K Joback Calculated Property
Tc 1107.59 K Joback Calculated Property
Tfus 534.55 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 809.91 J/mol×K 885.36 Joback Calculated Property
η 0.00 Pa×s 885.36 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
=C< (ring) 2
-CH2- 6
>C=O (nonring) 2
=CH- (ring) 10

Similar Compounds

1,3-Propanediol dibenzoate. Benzoic acid, 3-hydroxypropyl ester. n-Propyl benzoate. Benzoic acid, 3-hydroxy-butyl ester. Benzoic acid, butyl ester. Benzoic acid, 2-methylpropyl ester. 3-Butenyl benzoate. Glyceryl dibenzoate. 1,4-Butanediol, dibenzoate. Benzoic acid, neopentyl ester. Benzoic acid, 1-methylpropyl ester. Dipropyl terephthalate. 1-Monobenzoylglycerol. Benzoic acid, pentyl ester. 4-Pentenyl benzoate.

Find more compounds similar to 3-[3-(Benzoyloxy)propoxy]propyl benzoate.

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