Chemical Properties of 1-(Prop-2-ynyloxy)-2-(prop-2-ynyl)-4,5-methylenedioxybenzene

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

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.95	kJ/mol	Joback Calculated Property
logPoct/wat	2.709		Crippen Calculated Property
McVol	168.420	ml/mol	McGowan 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
Tfus	298.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[425.07; 497.03]	J/mol×K	[619.75; 836.97]
Cp,gas	425.07	J/mol×K	619.75	Joback Calculated Property
Cp,gas	439.07	J/mol×K	655.95	Joback Calculated Property
Cp,gas	452.20	J/mol×K	692.16	Joback Calculated Property
Cp,gas	464.51	J/mol×K	728.36	Joback Calculated Property
Cp,gas	476.04	J/mol×K	764.57	Joback Calculated Property
Cp,gas	486.87	J/mol×K	800.77	Joback Calculated Property
Cp,gas	497.03	J/mol×K	836.97	Joback Calculated Property
η	[0.0003177; 0.0013798]	Pa×s	[394.28; 619.75]
η	0.0013798	Pa×s	394.28	Joback Calculated Property
η	0.0009711	Pa×s	431.86	Joback Calculated Property
η	0.0007230	Pa×s	469.44	Joback Calculated Property
η	0.0005624	Pa×s	507.01	Joback Calculated Property
η	0.0004529	Pa×s	544.59	Joback Calculated Property
η	0.0003750	Pa×s	582.17	Joback Calculated Property
η	0.0003177	Pa×s	619.75	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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