Chemical Properties of 3-Methoxy-4,5-methylenedioxybenzaldehyde (CAS 5780-07-4)

InChI

InChI=1S/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3

InChI Key

LOFRBHZYZCIOJO-UHFFFAOYSA-N

Formula

C9H8O4

SMILES

COc1cc(C=O)cc2c1OCO2

Molecular Weight¹

180.16

CAS

5780-07-4

Other Names

• 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-
• 3-Methoxypiperonal
• 7-methoxybenzo-1,3-dioxole-5-carboxaldehyde

• 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°	-199.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.63	kJ/mol	Joback Calculated Property
ΔfusH°	28.44	kJ/mol	Joback Calculated Property
ΔvapH°	58.26	kJ/mol	Joback Calculated Property
log10WS	-2.04		Crippen Calculated Property
logPoct/wat	1.236		Crippen Calculated Property
McVol	122.230	ml/mol	McGowan Calculated Property
Pc	3935.71	kPa	Joback Calculated Property
Inp	[1570.00; 1570.00]
Inp	1570.00		NIST
Inp	1570.00		NIST
Tboil	583.33	K	Joback Calculated Property
Tc	809.74	K	Joback Calculated Property
Tfus	394.72	K	Joback Calculated Property
Vc	0.467	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.11; 346.95]	J/mol×K	[583.33; 809.74]
Cp,gas	293.11	J/mol×K	583.33	Joback Calculated Property
Cp,gas	303.68	J/mol×K	621.06	Joback Calculated Property
Cp,gas	313.57	J/mol×K	658.80	Joback Calculated Property
Cp,gas	322.81	J/mol×K	696.53	Joback Calculated Property
Cp,gas	331.43	J/mol×K	734.27	Joback Calculated Property
Cp,gas	339.47	J/mol×K	772.00	Joback Calculated Property
Cp,gas	346.95	J/mol×K	809.74	Joback Calculated Property
η	[0.0004761; 0.0016780]	Pa×s	[394.72; 583.33]
η	0.0016780	Pa×s	394.72	Joback Calculated Property
η	0.0012589	Pa×s	426.16	Joback Calculated Property
η	0.0009825	Pa×s	457.59	Joback Calculated Property
η	0.0007916	Pa×s	489.02	Joback Calculated Property
η	0.0006547	Pa×s	520.46	Joback Calculated Property
η	0.0005532	Pa×s	551.89	Joback Calculated Property
η	0.0004761	Pa×s	583.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methoxy-4,5-methylenedioxybenzaldehyde.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.