Chemical Properties of Anethole (CAS 4180-23-8)

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/b4-3+
InChI Key
RUVINXPYWBROJD-ONEGZZNKSA-N
Formula
C10H12O
SMILES
CC=Cc1ccc(OC)cc1
Molecular Weight1
148.20
CAS
4180-23-8
Other Names
  • (E)-1-Methoxy-4(1-propenyl)benzene
  • (E)-Anethol
  • (E)-Anethole
  • (E)-Anetole
  • Anethole (E)
  • Anethole, trans-
  • E-trans-Anethole
  • trans-Anethol
  • trans-Anethole
Sources

Physical Properties

Property Value Unit Source
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 43.16 kJ/mol Joback Calculated Property
logPoct/wat 2.73 Crippen Calculated Property
Pc 2995.87 kPa Joback Calculated Property
Tboil 508.70 K NIST
Tboil 508.85 ± 0.70 K NIST
Tboil 508.50 ± 1.00 K NIST
Tc 700.83 K Joback Calculated Property
Tfus 258.55 K Joback Calculated Property
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
ΔvapH 78.30 kJ/mol 348.0 NIST

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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