Chemical Properties of 3,4-Methylenedioxybenzyl acetate (CAS 326-61-4)

InChI

InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3

InChI Key

PFWYHTORQZAGCA-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

CC(=O)OCc1ccc2c(c1)OCO2

Molecular Weight¹

194.18

CAS

326-61-4

Other Names

• Piperonyl acetate
• 1,3-Benzodioxole-5-methanol, acetate
• Acetic acid, (3,4-methylenedioxy)benzyl ester
• Heliotropyl acetate
• Piperonyl alcohol, acetate
• 1,3-Benzodioxol, 5-(acetoxymethyl)
• Piperonal acetate

• 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.
• I : 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°	-211.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-451.80	kJ/mol	Joback Calculated Property
ΔfusH°	30.73	kJ/mol	Joback Calculated Property
ΔvapH°	59.85	kJ/mol	Joback Calculated Property
log10WS	-2.26		Crippen Calculated Property
logPoct/wat	1.478		Crippen Calculated Property
McVol	136.320	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Inp	[1485.00; 1530.00]
Inp	1530.00		NIST
Inp	1514.00		NIST
Inp	1485.00		NIST
Inp	1485.00		NIST
Inp	1514.00		NIST
I	[2325.00; 2344.00]
I	2344.00		NIST
I	2325.00		NIST
I	2325.00		NIST
I	2344.00		NIST
Tboil	606.44	K	Joback Calculated Property
Tc	832.75	K	Joback Calculated Property
Tfus	401.40	K	Joback Calculated Property
Vc	0.511	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.90; 399.73]	J/mol×K	[606.44; 832.75]
Cp,gas	338.90	J/mol×K	606.44	Joback Calculated Property
Cp,gas	350.92	J/mol×K	644.16	Joback Calculated Property
Cp,gas	362.13	J/mol×K	681.88	Joback Calculated Property
Cp,gas	372.58	J/mol×K	719.59	Joback Calculated Property
Cp,gas	382.30	J/mol×K	757.31	Joback Calculated Property
Cp,gas	391.33	J/mol×K	795.03	Joback Calculated Property
Cp,gas	399.73	J/mol×K	832.75	Joback Calculated Property
η	[0.0004109; 0.0017744]	Pa×s	[401.40; 606.44]
η	0.0017744	Pa×s	401.40	Joback Calculated Property
η	0.0012636	Pa×s	435.57	Joback Calculated Property
η	0.0009454	Pa×s	469.75	Joback Calculated Property
η	0.0007358	Pa×s	503.92	Joback Calculated Property
η	0.0005911	Pa×s	538.09	Joback Calculated Property
η	0.0004875	Pa×s	572.27	Joback Calculated Property
η	0.0004109	Pa×s	606.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Methylenedioxybenzyl acetate.

Sources

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

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