Chemical Properties of 4-Heptyloxybenzoic acid (CAS 15872-42-1)

4-Heptyloxybenzoic acid

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

InChI
InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)
InChI Key
ZRVIYEJYXIDATJ-UHFFFAOYSA-N
Formula
C14H20O3
SMILES
CCCCCCCOc1ccc(C(=O)O)cc1
Molecular Weight1
236.31
CAS
15872-42-1
Other Names
  • Benzoic acid, 4-(heptyloxy)-
  • Benzoic acid, p-(heptyloxy)-
  • p-Heptoxybenzoic acid
  • p-Heptyloxybenzoic acid
  • p-n-Heptyloxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -200.96 kJ/mol Joback Calculated Property
Δfgas -504.26 kJ/mol Joback Calculated Property
Δfus 32.54 kJ/mol Joback Calculated Property
Δvap 75.53 kJ/mol Joback Calculated Property
logPoct/wat 3.73 Crippen Calculated Property
Pc 2250.40 kPa Joback Calculated Property
Tboil 719.85 K Joback Calculated Property
Tc 911.57 K Joback Calculated Property
Tfus 367.00 ± 1.00 K NIST
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 553.80 J/mol×K 719.85 Joback Calculated Property
η 0.00 Pa×s 719.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH2- 6
>C=O (nonring) 1

Similar Compounds

4-(Decyloxy)benzoic acid. p-n-Octadecyloxybenzoic acid. P-(hexadecyloxy)benzoic acid. 4-Octyloxybenzoic acid. P-undecyloxybenzoic acid. P-nonyloxybenzoic acid. Benzoic acid, 4-(dodecyloxy)-. 4-(Hexyloxy)benzoic acid. 4-Pentyloxybenzoic acid. 4-n-Butoxybenzoic acid. 4-Propoxybenzoic acid. Methyl 4-octyloxybenzoate. Benzoic acid, 4-pentyloxy-, methyl ester. 4-(Decyloxy)benzaldehyde. p-Dodecyloxybenzaldehyde.

Find more compounds similar to 4-Heptyloxybenzoic 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.