Chemical Properties of 4-(Hexyloxy)benzoic acid (CAS 1142-39-8)

4-(Hexyloxy)benzoic acid

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
InChI Key
HBQUXMZZODHFMJ-UHFFFAOYSA-N
Formula
C13H18O3
SMILES
CCCCCCOc1ccc(C(=O)O)cc1
Molecular Weight1
222.28
CAS
1142-39-8
Other Names
  • 4-n-Hexyloxybenzoic acid
  • Benzoic acid, 4-(hexyloxy)-
  • Benzoic acid, p-(hexyloxy)-
  • p-Hexoylbenzoic acid
  • p-Hexyloxybenzoic acid
  • p-n-Hexyloxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -209.38 kJ/mol Joback Calculated Property
Δfgas -483.62 kJ/mol Joback Calculated Property
Δfus 29.95 kJ/mol Joback Calculated Property
Δvap 73.31 kJ/mol Joback Calculated Property
logPoct/wat 3.34 Crippen Calculated Property
Pc 2470.27 kPa Joback Calculated Property
Tboil 696.97 K Joback Calculated Property
Tc 890.02 K Joback Calculated Property
Tfus 408.19 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 500.87 J/mol×K 696.97 Joback Calculated Property
η 0.00 Pa×s 696.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH2- 5
-CH3 1

Similar Compounds

p-n-Octadecyloxybenzoic acid. P-undecyloxybenzoic acid. 4-Octyloxybenzoic acid. 4-Heptyloxybenzoic acid. P-nonyloxybenzoic acid. P-(hexadecyloxy)benzoic acid. Benzoic acid, 4-(dodecyloxy)-. 4-(Decyloxy)benzoic acid. 4-Pentyloxybenzoic acid. 4-n-Butoxybenzoic acid. 4-Propoxybenzoic acid. Methyl 4-octyloxybenzoate. Benzoic acid, 4-pentyloxy-, methyl ester. 4-Ethoxybenzoic acid. Benzaldehyde, 4-(hexyloxy)-.

Find more compounds similar to 4-(Hexyloxy)benzoic acid.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.