Chemical Properties of 4-Ethylbenzoic acid (CAS 619-64-7)

4-Ethylbenzoic acid

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InChI
InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key
ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
CCc1ccc(C(=O)O)cc1
Molecular Weight1
150.17
CAS
619-64-7
Other Names
  • Benzoic acid, 4-ethyl-
  • p-Ethylbenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -138.06 kJ/mol Joback Calculated Property
Δfgas -355.60 ± 1.90 kJ/mol NIST
Δfsolid -454.50 ± 1.90 kJ/mol NIST
Δfus 18.41 kJ/mol Joback Calculated Property
Δsub [97.50; 101.20] kJ/mol Show Hide
Δsub 101.20 ± 0.80 kJ/mol NIST
Δsub 98.90 ± 0.20 kJ/mol NIST
Δsub 98.90 kJ/mol NIST
Δsub 98.90 ± 0.20 kJ/mol NIST
Δsub 97.50 ± 2.50 kJ/mol NIST
Δvap 61.99 kJ/mol Joback Calculated Property
logPoct/wat 1.95 Crippen Calculated Property
Pc 3853.09 kPa Joback Calculated Property
Tboil 583.03 K Joback Calculated Property
Tc 787.21 K Joback Calculated Property
Tfus 384.70 ± 0.00 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 280.42 J/mol×K 583.03 Joback Calculated Property
η 0.00 Pa×s 583.03 Joback Calculated Property
ΔfusH 14.06 kJ/mol 386.2 NIST
ΔfusH 14.06 kJ/mol 386.2 NIST
ΔsubH 98.20 kJ/mol 319.5 NIST
ΔsubH 97.60 ± 0.20 kJ/mol 320.5 NIST

Molecular Descriptors

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

Similar Compounds

4'-(2-Bromoethyl)benzoic acid. Benzoic acid, 4-(1-methylethyl)-. 4-N-propylbenzoic acid. 4-Acetylbenzoic acid. Benzoic acid, p-tert-butyl-. Benzoic acid, 4-ethyl-, methyl ester. 4-Butylbenzoic acid. Benzoic acid, 4-pentyl-. Benzoic acid, 4-methyl-. 4-(1-Hydroxyethyl)benzaldehyde. Benzoic acid, 4-formyl-. 4-Ethylbenzoic acid, ethyl ester. Benzoic acid, 4-(1-methylethyl)-, methyl ester. 1,4-Benzenedicarboxylic acid. 4-Heptylbenzoic acid.

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