Chemical Properties of 1-(Prop-2-enyloxy)-2-(prop-2-enyl)-4,5-methylenedioxybenzene (CAS 259138-58-4)

InChI

InChI=1S/C13H14O3/c1-3-5-10-7-12-13(16-9-15-12)8-11(10)14-6-4-2/h3-4,7-8H,1-2,5-6,9H2

InChI Key

UITAOVXQEWVMGA-UHFFFAOYSA-N

Formula

C13H14O3

SMILES

C=CCOc1cc2c(cc1CC=C)OCO2

Molecular Weight¹

218.25

CAS

259138-58-4

Other Names

• 5-Allyl-6-(allyloxy)-1,3-benzodioxole

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5935		Relay (1.0) Calculated Property
ΔfG°	109.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-266.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.95	kJ/mol	Joback Calculated Property
ΔvapH°	72.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-3.87		Relay (1.0) Calculated Property
logPoct/wat	2.709		Crippen Calculated Property
McVol	168.420	ml/mol	McGowan Calculated Property
Pc	2581.96	kPa	Joback Calculated Property
Inp	[1705.00; 1705.00]
Inp	1705.00		NIST
Inp	1705.00		NIST
Inp	1705.00		NIST
Tboil	569.50	K	Relay (1.0) Calculated Property
Tc	801.31	K	Relay (1.0) Calculated Property
Tfus	303.85	K	Relay (1.0) Calculated Property
Vc	0.612	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.99; 496.95]	J/mol×K	[619.55; 836.70]
Cp,gas	424.99	J/mol×K	619.55	Joback Calculated Property
Cp,gas	438.99	J/mol×K	655.74	Joback Calculated Property
Cp,gas	452.12	J/mol×K	691.93	Joback Calculated Property
Cp,gas	464.43	J/mol×K	728.13	Joback Calculated Property
Cp,gas	475.97	J/mol×K	764.32	Joback Calculated Property
Cp,gas	486.79	J/mol×K	800.51	Joback Calculated Property
Cp,gas	496.95	J/mol×K	836.70	Joback Calculated Property
η	[0.0003180; 0.0013798]	Pa×s	[394.28; 619.55]
η	0.0013798	Pa×s	394.28	Joback Calculated Property
η	0.0009714	Pa×s	431.83	Joback Calculated Property
η	0.0007234	Pa×s	469.37	Joback Calculated Property
η	0.0005627	Pa×s	506.91	Joback Calculated Property
η	0.0004532	Pa×s	544.46	Joback Calculated Property
η	0.0003753	Pa×s	582.00	Joback Calculated Property
η	0.0003180	Pa×s	619.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(Prop-2-enyloxy)-2-(prop-2-enyl)-4,5-methylenedioxybenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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