Chemical Properties of 4-n-Butoxybenzoic acid (CAS 1498-96-0)

4-n-Butoxybenzoic acid

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InChI
InChI=1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChI Key
LAUFPZPAKULAGB-UHFFFAOYSA-N
Formula
C11H14O3
SMILES
CCCCOc1ccc(C(=O)O)cc1
Molecular Weight1
194.23
CAS
1498-96-0
Other Names
  • 4-Butyloxybenzoic acid
  • 4-n-Butoxybenzoic acid
  • Benzoic acid, 4-butoxy-
  • Benzoic acid, p-butoxy-
  • p-Butoxybenzoic acid
  • p-Butyloxybenzoic acid
  • p-n-Butoxybenzoic acid
  • p-n-Butyloxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -226.22 kJ/mol Joback Calculated Property
Δfgas -442.34 kJ/mol Joback Calculated Property
Δfus 24.77 kJ/mol Joback Calculated Property
Δsub 129.00 ± 0.80 kJ/mol NIST
Δvap 68.85 kJ/mol Joback Calculated Property
logPoct/wat 2.56 Crippen Calculated Property
Pc 3018.96 kPa Joback Calculated Property
Tboil 651.21 K Joback Calculated Property
Tc 848.16 K Joback Calculated Property
Tfus 420.90 ± 0.50 K NIST
Tfus 420.70 ± 0.10 K NIST
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 398.99 J/mol×K 651.21 Joback Calculated Property
η 0.00 Pa×s 651.21 Joback Calculated Property
ΔfusH 18.83 kJ/mol 420.7 NIST
ΔfusH 2.93 kJ/mol 432.2 NIST
ΔfusS 44.80 J/mol×K 420.7 NIST
ΔfusS 6.78 J/mol×K 432.2 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH2- 3
-CH3 1

Similar Compounds

4-Pentyloxybenzoic acid. 4-(Hexyloxy)benzoic acid. 4-Propoxybenzoic acid. P-nonyloxybenzoic acid. Benzoic acid, 4-(dodecyloxy)-. P-undecyloxybenzoic acid. P-(hexadecyloxy)benzoic acid. 4-Heptyloxybenzoic acid. 4-(Decyloxy)benzoic acid. p-n-Octadecyloxybenzoic acid. 4-Octyloxybenzoic acid. 4-Ethoxybenzoic acid. Benzoic acid, 4-pentyloxy-, methyl ester. Benzoic acid, 4-(3-methylbutyl)oxy-, methyl ester. Methyl 4-octyloxybenzoate.

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