Chemical Properties of Benzoic acid, 3-hydroxypropyl ester

Benzoic acid, 3-hydroxypropyl ester

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InChI
InChI=1S/C10H12O3/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2
InChI Key
BZISNWGGPWSXTK-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
O=C(OCCCO)c1ccccc1
Molecular Weight1
180.20
Sources

Physical Properties

Property Value Unit Source
Δf -225.01 kJ/mol Joback Calculated Property
Δfgas -410.23 kJ/mol Joback Calculated Property
Δfus 22.57 kJ/mol Joback Calculated Property
Δvap 65.97 kJ/mol Joback Calculated Property
logPoct/wat 1.23 Crippen Calculated Property
Pc 3423.86 kPa Joback Calculated Property
Tboil 623.35 K Joback Calculated Property
Tc 821.89 K Joback Calculated Property
Tfus 361.86 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 351.28 J/mol×K 623.35 Joback Calculated Property
η 0.00 Pa×s 623.35 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 5
-OH (alcohol) 1
=C< (ring) 1
-CH2- 3
>C=O (nonring) 1

Similar Compounds

1,3-Propanediol dibenzoate. n-Propyl benzoate. 3-[3-(Benzoyloxy)propoxy]propyl benzoate. Benzoic acid, 3-hydroxy-butyl ester. Benzoic acid, 2-methylpropyl ester. Benzoic acid, butyl ester. 3-Butenyl benzoate. 1,4-Butanediol, dibenzoate. Benzoic acid, neopentyl ester. Benzoic acid, 1-methylpropyl ester. Benzoic acid, pentyl ester. 1-Monobenzoylglycerol. Benzoic acid, ethyl ester. 4-Pentenyl benzoate. Dipropyl terephthalate.

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