Chemical Properties of 4-Heptylbenzoic acid (CAS 38350-87-7)

4-Heptylbenzoic acid

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InChI
InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
InChI Key
VSUKEWPHURLYTK-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CCCCCCCc1ccc(C(=O)O)cc1
Molecular Weight1
220.31
CAS
38350-87-7
Other Names
  • Benzoic acid, 4-heptyl-
Sources

Physical Properties

Property Value Unit Source
Δf -95.96 kJ/mol Joback Calculated Property
Δfgas -372.04 kJ/mol Joback Calculated Property
Δfus 31.36 kJ/mol Joback Calculated Property
Δsub 130.00 ± 0.90 kJ/mol NIST
Δvap 73.12 kJ/mol Joback Calculated Property
logPoct/wat 3.90 Crippen Calculated Property
Pc 2287.14 kPa Joback Calculated Property
Tboil 697.43 K Joback Calculated Property
Tc 889.73 K Joback Calculated Property
Tfus 376.00 ± 1.00 K NIST
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 527.16 J/mol×K 697.43 Joback Calculated Property
η 0.00 Pa×s 697.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH2- 6
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 4-pentyl-. 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. p-Octylacetophenone. 4'-HEPTYLACETOPHENONE. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Butylbenzoic acid, hexyl ester.

Find more compounds similar to 4-Heptylbenzoic acid.

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