Chemical Properties of (E)-Methyl isoeugenol (CAS 6379-72-2)

InChI

InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+

InChI Key

NNWHUJCUHAELCL-SNAWJCMRSA-N

Formula

C11H14O2

SMILES

CC=Cc1ccc(OC)c(OC)c1

Molecular Weight¹

178.23

CAS

6379-72-2

Other Names

• trans-Methylisoeugenol
• (E)-Methyl eugenol
• (E)-1,2-Dimethoxy-4-propenylbenzene
• 4-trans-propenylveratrole

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : 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°	20.09	kJ/mol	Joback Calculated Property
ΔvapH°	73.20	kJ/mol	Relay (1.0) Calculated Property
IE	7.58	eV	Relay (1.0) Calculated Property
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	2.737		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Inp	[1453.00; 1501.00]
Inp	1466.00		NIST
Inp	1461.80		NIST
Inp	1495.00		NIST
Inp	1495.00		NIST
Inp	1466.00		NIST
Inp	1495.00		NIST
Inp	1495.00		NIST
Inp	1453.00		NIST
Inp	1500.00		NIST
Inp	1494.00		NIST
Inp	1465.00		NIST
Inp	1463.00		NIST
Inp	1460.00		NIST
Inp	1460.00		NIST
Inp	1464.00		NIST
Inp	1500.00		NIST
Inp	1500.00		NIST
Inp	1501.00		NIST
Inp	1495.00		NIST
Inp	1500.00		NIST
Inp	1499.00		NIST
Inp	1500.00		NIST
Inp	1459.00		NIST
Inp	1495.00		NIST
Inp	1499.00		NIST
I	[2176.00; 2209.00]
I	2188.00		NIST
I	2178.00		NIST
I	2209.00		NIST
I	2176.00		NIST
Tboil	532.18	K	Relay (1.0) Calculated Property
Tfus	329.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[333.16; 408.36]	J/mol×K	[536.92; 747.12]
Cp,gas	333.16	J/mol×K	536.92	Joback Calculated Property
Cp,gas	347.36	J/mol×K	571.95	Joback Calculated Property
Cp,gas	360.88	J/mol×K	606.99	Joback Calculated Property
Cp,gas	373.74	J/mol×K	642.02	Joback Calculated Property
Cp,gas	385.93	J/mol×K	677.06	Joback Calculated Property
Cp,gas	397.46	J/mol×K	712.09	Joback Calculated Property
Cp,gas	408.36	J/mol×K	747.12	Joback Calculated Property
η	[0.0001218; 0.0010229]	Pa×s	[304.57; 536.92]
η	0.0010229	Pa×s	304.57	Joback Calculated Property
η	0.0005874	Pa×s	343.30	Joback Calculated Property
η	0.0003775	Pa×s	382.02	Joback Calculated Property
η	0.0002632	Pa×s	420.75	Joback Calculated Property
η	0.0001950	Pa×s	459.47	Joback Calculated Property
η	0.0001513	Pa×s	498.20	Joback Calculated Property
η	0.0001218	Pa×s	536.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-Methyl isoeugenol.

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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