Chemical Properties of Cyclohexanecarboxylic acid (CAS 98-89-5)

Cyclohexanecarboxylic acid

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InChI
InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChI Key
NZNMSOFKMUBTKW-UHFFFAOYSA-N
Formula
C7H12O2
SMILES
O=C(O)C1CCCCC1
Molecular Weight1
128.17
CAS
98-89-5
Other Names
  • Benzoic acid, hexahydro-
  • Carboxycyclohexane
  • Cyclohexylcarboxylic acid
  • Cyclohexylmethanoic acid
  • Hexahydrobenzoic acid
Sources

Physical Properties

Property Value Unit Source
PAff 823.80 kJ/mol NIST
BasG 792.80 kJ/mol NIST
Δcsolid -3883.70 ± 0.30 kJ/mol NIST
Δf -233.23 kJ/mol Joback Calculated Property
Δfgas -398.30 kJ/mol Joback Calculated Property
Δfus 11.41 kJ/mol Joback Calculated Property
Δvap 55.03 kJ/mol Joback Calculated Property
logPoct/wat 1.65 Crippen Calculated Property
Pc 4271.86 kPa Joback Calculated Property
Tboil 505.70 K NIST
Tboil 505.70 ± 1.00 K NIST
Tboil 393.70 K NIST
Tc 727.55 K Joback Calculated Property
Tfus 304.00 ± 4.00 K NIST
Tfus 298.50 ± 0.50 K NIST
Tfus 302.00 ± 2.00 K NIST
Vc 0.39 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 249.99 J/mol×K 525.16 Joback Calculated Property
η 0.00 Pa×s 525.16 Joback Calculated Property
ΔfusH 9.20 kJ/mol 301.9 NIST

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 1
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 5

Similar Compounds

Lead naphthenate. Hexanoic acid, 2-ethyl-. 2-Ethyloctadecanoic acid. 2-Ethylhexadecanoic acid. Cycloundecanecarboxylic acid. Octanedioic acid, 2-ethyl-. Octanoic acid, 2-butyl-. 2-Ethylheptanoic acid. 2-Hexyldecanoic acid. 2-Ethyleicosanoic acid. Hexanoic acid, 2-butyl-. Cycloheptanecarboxylic acid. cis-Hexahydroterephthalic acid. 1,4-Cyclohexanedicarboxylic acid, trans-. 1,4-Cyclohexanedicarboxylic acid.

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