Chemical Properties of Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (e)-

InChI

InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4-

InChI Key

IUSBVFZKQJGVEP-SNAWJCMRSA-N

Formula

C12H14O3

SMILES

C/C=C/c1ccc(OC(C)=O)c(OC)c1

Molecular Weight¹

206.24

Other Names

• 2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate
• Isoeugenol acetate (E)
• trans-Isoeugenol acetate
• Phenol, 2-methoxy-4-propenyl-, acetate, (E)-
• isoeugenyl acetate 1

• 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.
• 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°	24.28	kJ/mol	Joback Calculated Property
ΔvapH°	77.95	kJ/mol	Relay (1.0) Calculated Property
IE	7.56	eV	Relay (1.0) Calculated Property
log10WS	-3.30		Relay (1.0) Calculated Property
logPoct/wat	2.654		Crippen Calculated Property
McVol	165.190	ml/mol	McGowan Calculated Property
Inp	[1534.40; 1617.00]
Inp	1534.40		NIST
Inp	1617.00		NIST
Inp	1617.00		NIST
Tboil	564.16	K	Relay (1.0) Calculated Property
Tfus	335.07	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	[398.09; 470.13]	J/mol×K	[613.47; 827.88]
Cp,gas	398.09	J/mol×K	613.47	Joback Calculated Property
Cp,gas	411.97	J/mol×K	649.20	Joback Calculated Property
Cp,gas	425.09	J/mol×K	684.94	Joback Calculated Property
Cp,gas	437.45	J/mol×K	720.67	Joback Calculated Property
Cp,gas	449.08	J/mol×K	756.41	Joback Calculated Property
Cp,gas	459.96	J/mol×K	792.14	Joback Calculated Property
Cp,gas	470.13	J/mol×K	827.88	Joback Calculated Property
η	[0.0001222; 0.0009291]	Pa×s	[365.77; 613.47]
η	0.0009291	Pa×s	365.77	Joback Calculated Property
η	0.0005581	Pa×s	407.05	Joback Calculated Property
η	0.0003683	Pa×s	448.34	Joback Calculated Property
η	0.0002607	Pa×s	489.62	Joback Calculated Property
η	0.0001947	Pa×s	530.90	Joback Calculated Property
η	0.0001516	Pa×s	572.19	Joback Calculated Property
η	0.0001222	Pa×s	613.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (e)-.

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.