Chemical Properties of Eugenol (CAS 97-53-0)

Eugenol

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InChI
InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
InChI Key
RRAFCDWBNXTKKO-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
C=CCc1ccc(O)c(OC)c1
Molecular Weight1
164.20
CAS
97-53-0
Other Names
  • 1,3,4-Eugenol
  • 1-Hydroxy-2-methoxy-4-allylbenzene
  • 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene
  • 2-Hydroxy-5-allylanisole
  • 2-Methoxy-1-hydroxy-4-allylbenzene
  • 2-Methoxy-4-(2-propenyl)phenol
  • 2-Methoxy-4-allylphenol
  • 2-Methoxy-4-prop-2-enylphenol
  • 2-Metoksy-4-allilofenol
  • 4-(2-Propenyl)-2-methoxyphenol
  • 4-(2-Propenyl)-2-methoxyphenol (eugenol)
  • 4-Allyl-1-hydroxy-2-methoxybenzene
  • 4-Allyl-2-methoxyphenol
  • 4-Allyl-2-rnethoxyphenol (eugenol)
  • 4-Allylcatechol-2-methyl ether
  • 4-Allylguaiacol
  • 4-Hydroxy-3-methoxyallylbenzene
  • 4-allyl-2-methoxyphenol (eugenol)
  • Allylguaiacol
  • Caryophyllic acid
  • Engenol
  • Eugenic acid
  • Eugenol (2-Methoxy-4-(2-propenyl)phenol)
  • FA 100
  • FEMA No. 2467
  • NCI-C50453
  • NSC 209525
  • Phenol, 2-methoxy-4-(2-propen-1-yl)-
  • Phenol, 2-methoxy-4-(2-propenyl)-
  • Phenol, 4-allyl-2-methoxy-
  • p-Allylguaiacol
  • p-Eugenol
Sources

Physical Properties

Property Value Unit Source
Δf -35.68 kJ/mol Joback Calculated Property
Δfgas -208.77 kJ/mol Joback Calculated Property
Δfus 21.00 kJ/mol Joback Calculated Property
Δvap 66.30 kJ/mol NIST
logPoct/wat 2.129 Crippen Calculated Property
Pc 3509.58 kPa Joback Calculated Property
Tboil 526.40 K NIST
Tboil 526.65 ± 1.50 K NIST
Tc 781.19 K Joback Calculated Property
Tfus 373.59 K Joback Calculated Property
Vc 0.453 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 315.44 J/mol×K 559.58 Joback Calculated Property
Cp,liquid 343.20 J/mol×K 293.0 NIST
η 0.0000422 Pa×s 559.58 Joback Calculated Property
ΔvapH 66.10 kJ/mol 309.0 NIST
ΔvapH 60.30 kJ/mol 438.5 NIST
ΔvapH 57.70 kJ/mol 461.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 3
=CH2 1
=C< (ring) 3
-CH2- 1
=CH- 1
-CH3 1
-OH (phenol) 1

Similar Compounds

Benzene, 1,2-dimethoxy-4-(2-propenyl)-. Phenol, 4-ethyl-2-methoxy-. Chavibetol. Phenol, 2,6-dimethoxy-4-(2-propenyl)-. Benzene, 4-ethyl-1,2-dimethoxy-. Homovanillyl alcohol. Ethyleugenol. Phenol, 2-methoxy-4-propyl-. Homovanillin. Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-. 4-(2-AMINOETHYL)-2-METHOXYPHENOL. 1,3-Benzodioxole, 5-(2-propenyl)-. 3,4-Dimethoxyphenethyl alcohol. Phenol, 4-ethyl-2,6-dimethoxy. 1,2-Dimethoxy-4-N-propylbenzene.

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