Chemical Properties of 4-N-propylbenzoic acid (CAS 2438-05-3)

4-N-propylbenzoic acid

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InChI
InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChI Key
ATZHGRNFEFVDDJ-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CCCc1ccc(C(=O)O)cc1
Molecular Weight1
164.20
CAS
2438-05-3
Other Names
  • 4-Propylbenzoic acid
  • Benzoic acid, 4-propyl-
  • p-n-Propyl benzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -129.64 kJ/mol Joback Calculated Property
Δfgas -289.48 kJ/mol Joback Calculated Property
Δfus 21.00 kJ/mol Joback Calculated Property
Δsub 109.10 ± 0.80 kJ/mol NIST
Δvap 64.22 kJ/mol Joback Calculated Property
logPoct/wat 2.34 Crippen Calculated Property
Pc 3431.89 kPa Joback Calculated Property
Tboil 605.91 K Joback Calculated Property
Tc 807.12 K Joback Calculated Property
Tfus 422.00 ± 0.20 K NIST
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 326.71 J/mol×K 605.91 Joback Calculated Property
η 0.00 Pa×s 605.91 Joback Calculated Property
ΔfusH 23.30 kJ/mol 422.0 NIST

Molecular Descriptors

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

Similar Compounds

4-Butylbenzoic acid. Benzoic acid, 4-pentyl-. 4-Ethylbenzoic acid. 4-Heptylbenzoic acid. Benzoic acid, 4-(1-methylethyl)-. Benzoic acid, 4-butyl-, methyl ester. 4-Isobutylbenzoic acid, methyl. 4'-(2-Bromoethyl)benzoic acid. 4-Acetylbenzoic acid. Benzoic acid, p-tert-butyl-. Benzoic acid, 4-ethyl-, methyl ester. 4-Butylbenzoic acid, ethyl ester. Benzoic acid, 4-(1-methylethyl)-, methyl ester. 4-Ethylbenzoic acid, ethyl ester. P-cyclohexylbenzoic acid.

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