Chemical Properties of 3,4-Methylenedioxybenzylidene acetone (CAS 3160-37-0)

InChI

InChI=1S/C11H10O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h2-6H,7H2,1H3/b3-2+

InChI Key

XIYPXOFSURQTTJ-NSCUHMNNSA-N

Formula

C11H10O3

SMILES

CC(=O)C=Cc1ccc2c(c1)OCO2

Molecular Weight¹

190.20

CAS

3160-37-0

Other Names

• Piperonylideneacetone
• 1-(3,4-Methylenedioxyphenyl)but-2-en-3-one
• 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-
• Acetone, piperonylidene-
• Heliotropyl acetone
• Piperonyl acetone
• Piperonalacetone
• 3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-
• NSC 217304
• NSC 407384
• 2-Butanone, 4-(3,4-(methylenedioxy)phenyl)-
• 4-(3,4-methylenedioxyphenyl)but-3-en-2-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-17.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-223.00	kJ/mol	Joback Calculated Property
ΔfusH°	32.33	kJ/mol	Joback Calculated Property
ΔvapH°	59.63	kJ/mol	Joback Calculated Property
log10WS	-2.62		Crippen Calculated Property
logPoct/wat	2.017		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Pc	3407.89	kPa	Joback Calculated Property
Inp	[1525.00; 1549.00]
Inp	1549.00		NIST
Inp	1549.00		NIST
Inp	1525.00		NIST
Tboil	611.06	K	Joback Calculated Property
Tc	846.05	K	Joback Calculated Property
Tfus	385.36	K	Joback Calculated Property
Vc	0.529	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.70; 403.44]	J/mol×K	[611.06; 846.05]
Cp,gas	341.70	J/mol×K	611.06	Joback Calculated Property
Cp,gas	354.06	J/mol×K	650.23	Joback Calculated Property
Cp,gas	365.48	J/mol×K	689.39	Joback Calculated Property
Cp,gas	376.04	J/mol×K	728.56	Joback Calculated Property
Cp,gas	385.83	J/mol×K	767.72	Joback Calculated Property
Cp,gas	394.93	J/mol×K	806.89	Joback Calculated Property
Cp,gas	403.44	J/mol×K	846.05	Joback Calculated Property
η	[0.0004003; 0.0020131]	Pa×s	[385.36; 611.06]
η	0.0020131	Pa×s	385.36	Joback Calculated Property
η	0.0013645	Pa×s	422.98	Joback Calculated Property
η	0.0009855	Pa×s	460.59	Joback Calculated Property
η	0.0007476	Pa×s	498.21	Joback Calculated Property
η	0.0005896	Pa×s	535.83	Joback Calculated Property
η	0.0004797	Pa×s	573.44	Joback Calculated Property
η	0.0004003	Pa×s	611.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Methylenedioxybenzylidene acetone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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