Chemical Properties of 3-Buten-2-one, 4-(4-methoxyphenyl)- (CAS 943-88-4)

3-Buten-2-one, 4-(4-methoxyphenyl)-

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InChI
InChI=1S/C11H12O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h3-8H,1-2H3/b4-3+
InChI Key
WRRZKDVBPZBNJN-ONEGZZNKSA-N
Formula
C11H12O2
SMILES
COc1ccc(C=CC(C)=O)cc1
Molecular Weight1
176.21
CAS
943-88-4
Other Names
  • 1-(4-Methoxyphenyl)-but-1-en-3-one
  • 1-(p-Methoxyphenyl)-1-buten-3-one
  • 3-Buten-2-one, 4-(p-methoxyphenyl)-
  • 4'-Methoxybenzylideneacetone
  • 4-(4-Methoxyphenyl)-3-buten-2-one
  • 4-(p-Methoxyphenyl)-3-buten-2-one
  • 4-Methoxybenzalacetone
  • 4-Methoxybenzylideneacetone
  • 4-Methoxystyryl methyl ketone
  • Anisalacetone
  • Methyl p-methoxystyryl ketone
  • NSC 31752
  • NSC 7946
  • p-Anisalacetone
  • p-Anisilidenacetone
  • p-Methoxybenzalacetone
  • p-Methoxybenzylideneacetone
  • p-Methoxystyryl methyl ketone
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5763.50 kJ/mol NIST
Δf -9.18 kJ/mol Joback Calculated Property
Δfgas -172.89 kJ/mol Joback Calculated Property
Δfsolid -309.00 kJ/mol NIST
Δfus 20.89 kJ/mol Joback Calculated Property
Δvap 52.13 kJ/mol Joback Calculated Property
logPoct/wat 2.30 Crippen Calculated Property
Pc 2890.51 kPa Joback Calculated Property
Tboil 563.19 K Joback Calculated Property
Tc 783.00 K Joback Calculated Property
Tfus 319.75 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 326.84 J/mol×K 563.19 Joback Calculated Property
η 0.00 Pa×s 563.19 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

di-p-Anisylideneacetone. trans-p-(1-Butenyl)-anisole. trans-4-Methoxycinnamaldehyde. 4-Methoxycinnamaldehyde. 1-(4-Hydroxybenzylidene)acetone. Anethole. Anethole. cis-Anethole. (Z)-p-Methoxy-cinnamic acid. 2-Propenoic acid, 3-(4-methoxyphenyl)-. 2-Propenoic acid, 3-(4-methoxyphenyl)-, (E)-. 1-Methoxy-4-(2-methylpropenyl)benzene. p-Methoxy-.beta.-cyclopropylstyrene. 4-Ethoxycinnamic acid. 4-METHOXYCINNAMONITRILE.

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