Chemical Properties of 1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)- (CAS 484-31-1)

InChI

InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3

InChI Key

LIKYNOPXHGPMIH-UHFFFAOYSA-N

Formula

C12H14O4

SMILES

C=CCc1cc2c(c(OC)c1OC)OCO2

Molecular Weight¹

222.24

CAS

484-31-1

Other Names

• Benzene, 1-allyl-2,3-dimethoxy-4,5-(methylenedioxy)-
• Dill apiol
• Dill apiole
• 1-Allyl-2,3-dimethoxy-4,5-methylenedioxybenzene

• 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°	-101.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.23	kJ/mol	Joback Calculated Property
ΔfusH°	33.44	kJ/mol	Joback Calculated Property
ΔvapH°	60.62	kJ/mol	Joback Calculated Property
log10WS	-3.00		Crippen Calculated Property
logPoct/wat	2.161		Crippen Calculated Property
McVol	164.500	ml/mol	McGowan Calculated Property
Pc	2640.67	kPa	Joback Calculated Property
Inp	[1582.00; 1662.00]
Inp	1633.00		NIST
Inp	1644.00		NIST
Inp	1613.00		NIST
Inp	1619.00		NIST
Inp	1625.00		NIST
Inp	Outlier 1589.00		NIST
Inp	1622.00		NIST
Inp	1615.00		NIST
Inp	1621.00		NIST
Inp	1622.00		NIST
Inp	1625.00		NIST
Inp	1620.00		NIST
Inp	1620.00		NIST
Inp	1622.00		NIST
Inp	Outlier 1662.00		NIST
Inp	1620.00		NIST
Inp	Outlier 1586.00		NIST
Inp	1608.00		NIST
Inp	1625.00		NIST
Inp	1611.00		NIST
Inp	1603.00		NIST
Inp	1634.00		NIST
Inp	1620.00		NIST
Inp	1625.00		NIST
Inp	1620.00		NIST
Inp	1620.00		NIST
Inp	1602.00		NIST
Inp	1624.00		NIST
Inp	Outlier 1582.00		NIST
Inp	1628.00		NIST
Inp	1620.00		NIST
Inp	1608.00		NIST
Inp	1625.00		NIST
Inp	1622.00		NIST
Inp	1597.00		NIST
Inp	1595.00		NIST
Inp	1624.00		NIST
Inp	1628.00		NIST
Inp	1620.00		NIST
Inp	1631.00		NIST
Inp	1612.00		NIST
Inp	1610.00		NIST
Inp	1622.00		NIST
Inp	1595.00		NIST
Inp	1621.00		NIST
Inp	1619.00		NIST
Inp	1621.00		NIST
Inp	1625.00		NIST
Inp	1620.00		NIST
Inp	1603.00		NIST
Inp	1595.00		NIST
Inp	1633.00		NIST
I	[2305.00; 2384.00]
I	2327.00		NIST
I	2305.00		NIST
I	2310.00		NIST
I	2351.00		NIST
I	2338.00		NIST
I	2310.00		NIST
I	2380.00		NIST
I	2384.00		NIST
I	2384.00		NIST
I	2370.00		NIST
I	2384.00		NIST
I	2305.00		NIST
I	2380.00		NIST
Tboil	627.39	K	Joback Calculated Property
Tc	842.34	K	Joback Calculated Property
Tfus	419.52	K	Joback Calculated Property
Vc	0.617	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.38; 491.71]	J/mol×K	[627.39; 842.34]
Cp,gas	421.38	J/mol×K	627.39	Joback Calculated Property
Cp,gas	434.89	J/mol×K	663.21	Joback Calculated Property
Cp,gas	447.67	J/mol×K	699.04	Joback Calculated Property
Cp,gas	459.71	J/mol×K	734.86	Joback Calculated Property
Cp,gas	471.05	J/mol×K	770.69	Joback Calculated Property
Cp,gas	481.71	J/mol×K	806.51	Joback Calculated Property
Cp,gas	491.71	J/mol×K	842.34	Joback Calculated Property
η	[0.0002663; 0.0009674]	Pa×s	[419.52; 627.39]
η	0.0009674	Pa×s	419.52	Joback Calculated Property
η	0.0007188	Pa×s	454.17	Joback Calculated Property
η	0.0005571	Pa×s	488.81	Joback Calculated Property
η	0.0004466	Pa×s	523.46	Joback Calculated Property
η	0.0003679	Pa×s	558.10	Joback Calculated Property
η	0.0003101	Pa×s	592.75	Joback Calculated Property
η	0.0002663	Pa×s	627.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.