Chemical Properties of Benzoic acid, hexyl ester (CAS 6789-88-4)

Benzoic acid, hexyl ester

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InChI
InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChI Key
UUGLJVMIFJNVFH-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCCCOC(=O)c1ccccc1
Molecular Weight1
206.28
CAS
6789-88-4
Other Names
  • Benzoic acid n-hexyl ester
  • Hexyl benzoate
  • Hexylester kyseliny benzoove
  • n-Hexyl benzoate
Sources

Physical Properties

Property Value Unit Source
Δf -62.93 kJ/mol Joback Calculated Property
Δfgas -319.92 kJ/mol Joback Calculated Property
Δfus 26.25 kJ/mol Joback Calculated Property
Δvap 55.96 kJ/mol Joback Calculated Property
logPoct/wat 3.42 Crippen Calculated Property
Pc 2291.52 kPa Joback Calculated Property
Tboil 599.81 K Joback Calculated Property
Tc 802.73 K Joback Calculated Property
Tfus 334.85 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.32 J/mol×K 599.81 Joback Calculated Property
η 0.00 Pa×s 599.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 5
>C=O (nonring) 1

Similar Compounds

Benzoic acid, heptyl ester. Benzoic acid, octadecyl ester. Eicosyl benzoate. nonyl benzoate. Behenyl benzoate. Benzoic acid, heptadecyl ester. decyl benzoate. dodecyl benzoate. Benzoic acid, octyl ester. Benzoic acid, pentadecyl ester. Benzoic acid, nonadecyl ester. Tetracosyl benzoate. Benzoic acid, tetradecyl ester. Benzoic acid, eicosyl ester. Benzoic acid, hexadecyl ester.

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