Chemical Properties of 4-Propoxybenzoic acid (CAS 5438-19-7)

4-Propoxybenzoic acid

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InChI
InChI=1S/C10H12O3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key
GDFUWFOCYZZGQU-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
CCCOc1ccc(C(=O)O)cc1
Molecular Weight1
180.20
CAS
5438-19-7
Other Names
  • 4-n-Propoxybenzoic acid
  • 4-n-propyloxybenzoic acid
  • Benzoic acid, 4-propoxy-
  • Benzoic acid, p-propoxy-
  • Para -4- Propoxy Benzoic Acid
  • p-Propoxybenzoic acid
  • p-Propyloxybenzoic acid
  • p-n-Propoxybenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -234.64 kJ/mol Joback Calculated Property
Δfgas -421.70 kJ/mol Joback Calculated Property
Δfus 22.18 kJ/mol Joback Calculated Property
Δvap 66.63 kJ/mol Joback Calculated Property
logPoct/wat 2.17 Crippen Calculated Property
Pc 3364.54 kPa Joback Calculated Property
Tboil 628.33 K Joback Calculated Property
Tc 827.77 K Joback Calculated Property
Tfus 374.38 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 350.22 J/mol×K 628.33 Joback Calculated Property
η 0.00 Pa×s 628.33 Joback Calculated Property
ΔfusH 7.95 kJ/mol 394.2 NIST
ΔfusH 16.74 kJ/mol 419.7 NIST
ΔfusH 2.51 kJ/mol 426.7 NIST
ΔfusS 20.17 J/mol×K 394.2 NIST
ΔfusS 39.89 J/mol×K 419.7 NIST
ΔfusS 5.88 J/mol×K 426.7 NIST

Molecular Descriptors

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

Similar Compounds

4-n-Butoxybenzoic acid. 4-Ethoxybenzoic acid. 4-Pentyloxybenzoic acid. 4-(Hexyloxy)benzoic acid. P-(hexadecyloxy)benzoic acid. 4-(Decyloxy)benzoic acid. P-nonyloxybenzoic acid. p-n-Octadecyloxybenzoic acid. Benzoic acid, 4-(dodecyloxy)-. 4-Octyloxybenzoic acid. P-undecyloxybenzoic acid. 4-Heptyloxybenzoic acid. Benzoic acid, 4-propyloxy-, methyl ester. Benzoic acid, 4-methoxy-. Benzoic acid, 4-(2-methylpropyl)oxy-, methyl ester.

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