Chemical Properties of Anethole (CAS 104-46-1)

Anethole

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InChI
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3
InChI Key
RUVINXPYWBROJD-UHFFFAOYSA-N
Formula
C10H12O
SMILES
CC=Cc1ccc(OC)cc1
Molecular Weight1
148.20
CAS
104-46-1
Other Names
  • 1-(p-Methoxyphenyl)propene
  • 1-Methoxy-4-(1-propenyl)benzene
  • 1-Methoxy-4-propenylbenzene
  • 1-Propene, 1-(4-methoxyphenyl)-
  • 4-(1-Propenyl)anisole
  • 4-Methoxy-1-propenylbenzene
  • 4-Methoxypropenylbenzene
  • 4-Propenylanisole
  • Anethol
  • Anise camphor
  • Aniskampfer
  • Anisole, p-propenyl-
  • Benzene, 1-methoxy-4-(1-propen-1-yl)-
  • Benzene, 1-methoxy-4-(1-propenyl)-
  • Isoestragole
  • Methoxy-4-propenylbenzene
  • Monasirup
  • NSC 4018
  • Nauli "gum"
  • Nauli gum
  • Oil of aniseed
  • Propene, 1-(p-methoxyphenyl)-
  • p-(1-Propenyl)anisole
  • p-Anethole
  • p-Methoxy-«beta»-methylstyrene
  • p-Propenylanisole
  • p-Propenylphenyl methyl ether
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5544.55 kJ/mol NIST
Δf 111.32 kJ/mol Joback Calculated Property
Δfgas -39.67 kJ/mol Joback Calculated Property
Δfus 16.70 kJ/mol Joback Calculated Property
Δvap 61.90 kJ/mol NIST
logPoct/wat 2.73 Crippen Calculated Property
Pc 2995.87 kPa Joback Calculated Property
Tboil 508.00 K NIST
Tboil 506.00 ± 4.00 K NIST
Tc 700.83 K Joback Calculated Property
Tfus 295.00 ± 0.50 K NIST
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 264.61 J/mol×K 486.44 Joback Calculated Property
η 0.00 Pa×s 486.44 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

cis-Anethole. Anethole. 1-Methoxy-4-(2-methylpropenyl)benzene. trans-4-Methoxycinnamaldehyde. 4-Methoxycinnamaldehyde. trans-p-(1-Butenyl)-anisole. 4-METHOXYCINNAMONITRILE. Benzene, 1-ethenyl-4-methoxy-. Phenol, 4-(1-propenyl), (E). Isochavicol. Phenol, 4-(1-propenyl). 4-Ethoxystyrene. 3-Buten-2-one, 4-(4-methoxyphenyl)-. (Z)-p-Methoxy-cinnamic acid. 2-Propenoic acid, 3-(4-methoxyphenyl)-.

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