Chemical Properties of Benzoic acid, 4-pentyl- (CAS 26311-45-5)

Benzoic acid, 4-pentyl-

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InChI
InChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChI Key
CWYNKKGQJYAHQG-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CCCCCc1ccc(C(=O)O)cc1
Molecular Weight1
192.25
CAS
26311-45-5
Other Names
  • 4-Amylbenzoic acid
  • 4-Pentylbenzoic acid
  • 4-n-Pentylbenzoic acid
  • Benzoic acid, p-pentyl-
  • NSC 169024
  • p-Amylbenzoic acid
  • p-Pentylbenzoic acid
  • p-n-Amylbenzoic acid
  • p-n-Pentylbenzoic acid
  • para-Pentylbenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -112.80 kJ/mol Joback Calculated Property
Δfgas -330.76 kJ/mol Joback Calculated Property
Δfus 26.18 kJ/mol Joback Calculated Property
Δsub 118.20 ± 1.00 kJ/mol NIST
Δvap 68.67 kJ/mol Joback Calculated Property
logPoct/wat 3.12 Crippen Calculated Property
Pc 2773.00 kPa Joback Calculated Property
Tboil 651.67 K Joback Calculated Property
Tc 847.74 K Joback Calculated Property
Tfus 374.69 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 424.06 J/mol×K 651.67 Joback Calculated Property
η 0.00 Pa×s 651.67 Joback Calculated Property
ΔfusH 2.60 kJ/mol 252.0 NIST
ΔfusH 9.90 kJ/mol 362.0 NIST
ΔfusH 1.50 kJ/mol 395.0 NIST
ΔfusS 10.32 J/mol×K 252.0 NIST
ΔfusS 27.35 J/mol×K 362.0 NIST
ΔfusS 3.80 J/mol×K 395.0 NIST

Molecular Descriptors

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

Similar Compounds

4-Heptylbenzoic acid. 4-Butylbenzoic acid. 4-N-propylbenzoic acid. Benzoic acid, 4-butyl-, methyl ester. P-cyclohexylbenzoic acid. 4-Butylbenzoic acid, ethyl ester. 4-Ethylbenzoic acid. Benzaldehyde, 4-pentyl-. 4-Isobutylbenzoic acid, methyl. Benzoic acid, 4-(1-methylethyl)-. 4'-(2-Bromoethyl)benzoic acid. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Acetylbenzoic acid. Benzoic acid, p-tert-butyl-. Benzoic acid, 4-ethyl-, methyl ester.

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