Chemical Properties of «beta»-Asarone (CAS 5273-86-9)

InChI

InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-

InChI Key

RKFAZBXYICVSKP-WAYWQWQTSA-N

Formula

C12H16O3

SMILES

CC=Cc1cc(OC)c(OC)cc1OC

Molecular Weight¹

208.25

CAS

5273-86-9

Other Names

• Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-
• cis-Asarone
• cis-«beta»-Asarone
• (Z)-Asarone
• Benzene, 1,2,4-trimethoxy-5-propenyl-, (Z)-
• cis-Isoasarone
• cis-Isoelemicin
• (Z)-5-Propenyl-1,2,4-trimethoxybenzene
• (Z)-«beta»-Asarone
• (Z)-Isoelemicin
• 1,2,4-Trimethoxy-5-[(1Z)-1-propenyl]benzene
• (Z)-Azarone
• 2,4,5-trimethoxypropen-1-ylbenzene

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.48	kJ/mol	Joback Calculated Property
logPoct/wat	2.746		Crippen Calculated Property
McVol	169.490	ml/mol	McGowan Calculated Property
Inp	[1561.00; 1641.10]
Inp	1599.00		NIST
Inp	Outlier 1561.00		NIST
Inp	1631.00		NIST
Inp	1629.00		NIST
Inp	1621.00		NIST
Inp	1640.00		NIST
Inp	1641.10		NIST
Inp	1583.00		NIST
Inp	1626.00		NIST
Inp	1617.00		NIST
Inp	1631.00		NIST
Inp	1596.00		NIST
Inp	1579.00		NIST
Inp	1583.00		NIST
Inp	1617.00		NIST
I	[2215.00; 2252.00]
I	2252.00		NIST
I	2215.00		NIST
Tboil	559.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[404.78; 482.46]	J/mol×K	[587.00; 792.75]
Cp,gas	404.78	J/mol×K	587.00	Joback Calculated Property
Cp,gas	419.37	J/mol×K	621.29	Joback Calculated Property
Cp,gas	433.31	J/mol×K	655.58	Joback Calculated Property
Cp,gas	446.60	J/mol×K	689.87	Joback Calculated Property
Cp,gas	459.22	J/mol×K	724.16	Joback Calculated Property
Cp,gas	471.18	J/mol×K	758.45	Joback Calculated Property
Cp,gas	482.46	J/mol×K	792.75	Joback Calculated Property
η	[0.0000910; 0.0006142]	Pa×s	[350.59; 587.00]
η	0.0006142	Pa×s	350.59	Joback Calculated Property
η	0.0003804	Pa×s	389.99	Joback Calculated Property
η	0.0002572	Pa×s	429.39	Joback Calculated Property
η	0.0001858	Pa×s	468.80	Joback Calculated Property
η	0.0001411	Pa×s	508.20	Joback Calculated Property
η	0.0001115	Pa×s	547.60	Joback Calculated Property
η	0.0000910	Pa×s	587.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Asarone.

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