Chemical Properties of Neric acid (CAS 4613-38-1)

Neric acid

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InChI
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7-
InChI Key
ZHYZQXUYZJNEHD-CLFYSBASSA-N
Formula
C10H16O2
SMILES
CC(C)=CCCC(C)=CC(=O)O
Molecular Weight1
168.23
CAS
4613-38-1
Other Names
  • (2Z)-3,7-Dimethyl-2,6-octadienoic acid
  • Nerolic acid
Sources

Physical Properties

Property Value Unit Source
Δf -89.08 kJ/mol Joback Calculated Property
Δfgas -299.68 kJ/mol Joback Calculated Property
Δfus 25.13 kJ/mol Joback Calculated Property
Δvap 61.36 kJ/mol Joback Calculated Property
logPoct/wat 2.76 Crippen Calculated Property
Pc 2744.03 kPa Joback Calculated Property
Tboil 582.33 K Joback Calculated Property
Tc 767.56 K Joback Calculated Property
Tfus 275.13 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 362.94 J/mol×K 582.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 3
-OH (alcohol) 1
-CH2- 2
=C< 2
=CH- 2
>C=O (nonring) 1

Similar Compounds

Geranic acid. Geranic acid. cis,trans-Farnesoic acid. trans,trans-Farnesoic acid. 3,7,11-Trimethyl-dodeca-2,6,10-trienoic acid. 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-. trans-Geranic acid methyl ester. 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester. (E,E)-Methyl farnesoate. 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,Z)-. 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)-. 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester. Methyl 3,7,11-trimerthyl-2,6,10-dodecatrienoate (Methyl farnesate). Ethyl nerate. Ethyl geranate.

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