Chemical Properties of Benzene, 1,2-dimethoxy-4-(2-propenyl)-

InChI

InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

InChI Key

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

C=CCc1ccc(OC)c(OC)c1

Molecular Weight¹

178.23

Other Names

• 1,2-dimethoxy-4-(2-propenyl)benzene
• 1,2-dimethoxy-4-allylbenzene
• 1,3,4-Eugenol methyl ether
• 1-(3,4-Dimethoxyphenyl)-2-propene
• 1-Allyl-3,4-dimethoxybenzene
• 3,4-Dimethoxyallylbenzene
• 4-Allyl-1,2-dimethoxybenzene
• 4-Allyl-1,2-dimethyoxybenzene
• 4-Allylveratrole
• Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-
• Benzene, 4-(2-propenyl)-1,2-dimethoxy
• Benzene, 4-allyl-1,2-dimethoxy-
• Ent 21040
• Eugenol methyl
• Eugenol methyl ether
• Eugenyl methyl ether
• Methyl eugenol ether
• Methyl eugenyl ether
• NSC 209528
• O-Methyleugenol
• Veratrole methyl ether
• methyleugenol
• o-Methyl eugenol ether

• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.61	kJ/mol	Joback Calculated Property
ΔvapH°	68.63	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-2.79		Relay (1.0) Calculated Property
logPoct/wat	2.432		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Inp	[1359.00; 1428.00]
Inp	1401.00		NIST
Inp	1403.00		NIST
Inp	1366.00		NIST
Inp	1401.00		NIST
Inp	1399.00		NIST
Inp	1375.00		NIST
Inp	1374.00		NIST
Inp	1373.00		NIST
Inp	1401.00		NIST
Inp	1410.00		NIST
Inp	1408.00		NIST
Inp	1402.00		NIST
Inp	Outlier 1361.00		NIST
Inp	1403.00		NIST
Inp	1415.00		NIST
Inp	1407.00		NIST
Inp	1371.00		NIST
Inp	1404.00		NIST
Inp	1366.00		NIST
Inp	1395.00		NIST
Inp	1372.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1372.00		NIST
Inp	1401.00		NIST
Inp	1409.00		NIST
Inp	1399.00		NIST
Inp	1404.00		NIST
Inp	1379.00		NIST
Inp	1383.00		NIST
Inp	1402.00		NIST
Inp	1375.00		NIST
Inp	1376.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1402.00		NIST
Inp	1404.00		NIST
Inp	1408.00		NIST
Inp	1402.00		NIST
Inp	1378.00		NIST
Inp	1406.00		NIST
Inp	1404.00		NIST
Inp	1407.20		NIST
Inp	1385.00		NIST
Inp	1367.00		NIST
Inp	1401.00		NIST
Inp	1402.00		NIST
Inp	1371.00		NIST
Inp	1402.00		NIST
Inp	1404.00		NIST
Inp	1405.50		NIST
Inp	1405.00		NIST
Inp	1403.00		NIST
Inp	1402.00		NIST
Inp	1405.00		NIST
Inp	1410.00		NIST
Inp	1401.00		NIST
Inp	1412.00		NIST
Inp	1402.00		NIST
Inp	1401.00		NIST
Inp	1364.00		NIST
Inp	1394.00		NIST
Inp	1402.00		NIST
Inp	1402.00		NIST
Inp	1396.00		NIST
Inp	1402.00		NIST
Inp	1400.00		NIST
Inp	1402.00		NIST
Inp	1399.00		NIST
Inp	1401.00		NIST
Inp	1403.00		NIST
Inp	1401.00		NIST
Inp	1372.00		NIST
Inp	1405.00		NIST
Inp	1371.00		NIST
Inp	1369.00		NIST
Inp	1402.00		NIST
Inp	1368.00		NIST
Inp	1401.00		NIST
Inp	1384.00		NIST
Inp	1376.00		NIST
Inp	1376.00		NIST
Inp	1370.00		NIST
Inp	1373.00		NIST
Inp	1370.00		NIST
Inp	1371.00		NIST
Inp	1372.00		NIST
Inp	Outlier 1360.00		NIST
Inp	1369.00		NIST
Inp	1368.00		NIST
Inp	1373.00		NIST
Inp	1401.00		NIST
Inp	1384.00		NIST
Inp	Outlier 1428.00		NIST
Inp	1404.00		NIST
Inp	1369.00		NIST
Inp	1404.00		NIST
Inp	1404.00		NIST
Inp	1400.00		NIST
Inp	1377.00		NIST
Inp	1413.00		NIST
Inp	1405.00		NIST
Inp	1404.00		NIST
Inp	1399.00		NIST
Inp	1394.00		NIST
Inp	1368.00		NIST
Inp	1403.00		NIST
Inp	1400.00		NIST
Inp	1409.00		NIST
Inp	1404.00		NIST
Inp	1407.00		NIST
Inp	1402.00		NIST
Inp	1404.00		NIST
Inp	1370.00		NIST
Inp	1401.00		NIST
Inp	1405.00		NIST
Inp	1411.00		NIST
Inp	1407.00		NIST
Inp	1402.00		NIST
Inp	1400.00		NIST
Inp	1405.00		NIST
Inp	1404.00		NIST
Inp	1403.00		NIST
Inp	1401.00		NIST
Inp	1403.00		NIST
Inp	1398.00		NIST
Inp	1374.00		NIST
Inp	1410.00		NIST
Inp	1403.00		NIST
Inp	1404.00		NIST
Inp	1364.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1374.00		NIST
Inp	1404.00		NIST
Inp	1405.00		NIST
Inp	Outlier 1361.00		NIST
Inp	1395.00		NIST
Inp	1405.00		NIST
Inp	1368.00		NIST
Inp	1401.00		NIST
Inp	1404.00		NIST
Inp	1403.00		NIST
Inp	1369.00		NIST
Inp	1369.00		NIST
Inp	1397.00		NIST
Inp	1401.00		NIST
Inp	1369.00		NIST
Inp	1389.00		NIST
Inp	1399.00		NIST
Inp	1408.00		NIST
Inp	1407.00		NIST
Inp	1395.00		NIST
Inp	1397.00		NIST
Inp	1401.00		NIST
Inp	1406.00		NIST
Inp	1400.00		NIST
Inp	1407.00		NIST
Inp	1364.00		NIST
Inp	1401.00		NIST
Inp	1401.00		NIST
Inp	1373.00		NIST
Inp	1402.00		NIST
Inp	1412.00		NIST
Inp	1399.00		NIST
Inp	1405.00		NIST
Inp	1375.00		NIST
Inp	1399.00		NIST
Inp	1399.00		NIST
Inp	1368.00		NIST
Inp	1369.00		NIST
Inp	1370.00		NIST
Inp	1371.00		NIST
Inp	1399.00		NIST
Inp	1401.00		NIST
Inp	1398.00		NIST
Inp	1404.00		NIST
Inp	1379.00		NIST
Inp	1407.00		NIST
Inp	1405.00		NIST
Inp	Outlier 1359.00		NIST
Inp	1373.00		NIST
Inp	1403.00		NIST
Inp	1400.00		NIST
Inp	1409.00		NIST
Inp	1400.00		NIST
Inp	1398.00		NIST
Inp	1380.00		NIST
Inp	1401.00		NIST
Inp	1407.00		NIST
Inp	1407.00		NIST
Inp	1407.00		NIST
Inp	1413.00		NIST
Inp	1364.00		NIST
Inp	1371.00		NIST
Inp	1404.00		NIST
Inp	1410.00		NIST
Inp	1375.00		NIST
Inp	1375.00		NIST
Inp	1367.00		NIST
Inp	1370.00		NIST
Inp	1393.00		NIST
Inp	1375.00		NIST
Inp	1367.00		NIST
Inp	1415.00		NIST
Inp	1384.00		NIST
Inp	1373.00		NIST
Inp	1371.00		NIST
Inp	1372.00		NIST
Inp	1407.00		NIST
Inp	1368.00		NIST
Inp	1377.00		NIST
Inp	1372.00		NIST
Inp	Outlier 1360.00		NIST
Inp	1402.00		NIST
Inp	1408.00		NIST
Inp	1403.00		NIST
Inp	1401.00		NIST
Inp	1402.00		NIST
Inp	1412.00		NIST
Inp	1374.00		NIST
Inp	1407.00		NIST
Inp	1403.00		NIST
Inp	1403.00		NIST
Inp	1401.00		NIST
Inp	1404.00		NIST
Inp	1398.00		NIST
Inp	1407.00		NIST
Inp	1404.00		NIST
Inp	1404.00		NIST
Inp	1408.00		NIST
Inp	1404.00		NIST
Inp	1400.00		NIST
Inp	1398.00		NIST
Inp	1394.00		NIST
Inp	1367.00		NIST
Inp	1392.00		NIST
Inp	1408.00		NIST
Inp	1373.00		NIST
Inp	1365.00		NIST
Inp	1399.00		NIST
Inp	1408.00		NIST
Inp	1368.00		NIST
Inp	1376.00		NIST
Inp	1378.00		NIST
Inp	1377.00		NIST
Inp	1378.00		NIST
Inp	1370.00		NIST
Inp	1369.00		NIST
Inp	1404.00		NIST
Ip	[1962.00; 2061.00]
Ip	2033.00		NIST
Ip	Outlier 1962.00		NIST
Ip	1978.00		NIST
Ip	2003.00		NIST
Ip	2023.00		NIST
Ip	2017.00		NIST
Ip	2013.00		NIST
Ip	2016.00		NIST
Ip	2014.00		NIST
Ip	2036.00		NIST
Ip	2011.00		NIST
Ip	1986.00		NIST
Ip	2009.00		NIST
Ip	2031.00		NIST
Ip	2028.00		NIST
Ip	2016.00		NIST
Ip	2016.00		NIST
Ip	2001.00		NIST
Ip	2033.00		NIST
Ip	2018.00		NIST
Ip	2020.00		NIST
Ip	2030.00		NIST
Ip	2025.00		NIST
Ip	2030.00		NIST
Ip	1985.00		NIST
Ip	2020.00		NIST
Ip	2033.00		NIST
Ip	2022.00		NIST
Ip	2012.00		NIST
Ip	1975.00		NIST
Ip	1986.00		NIST
Ip	Outlier 1962.00		NIST
Ip	Outlier 1962.00		NIST
Ip	2012.00		NIST
Ip	1992.00		NIST
Ip	2007.00		NIST
Ip	2042.00		NIST
Ip	2004.00		NIST
Ip	2016.00		NIST
Ip	2013.00		NIST
Ip	2005.00		NIST
Ip	2015.00		NIST
Ip	1995.00		NIST
Ip	Outlier 2061.00		NIST
Ip	2013.00		NIST
Ip	2005.00		NIST
Ip	2006.00		NIST
Ip	2006.00		NIST
Ip	2006.00		NIST
Ip	2007.00		NIST
Ip	2004.00		NIST
Ip	2029.00		NIST
Ip	2012.00		NIST
Ip	2015.00		NIST
Ip	2021.00		NIST
Ip	2030.00		NIST
Ip	2042.00		NIST
Ip	1970.00		NIST
Ip	1979.00		NIST
Ip	1970.00		NIST
Ip	1979.00		NIST
Ip	1970.00		NIST
Ip	1979.00		NIST
Ip	1970.00		NIST
Ip	1979.00		NIST
Ip	2011.00		NIST
Ip	1985.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	2000.00		NIST
Ip	1986.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	1975.00		NIST
Ip	2030.00		NIST
Ip	2030.00		NIST
Ip	2029.00		NIST
Ip	2029.00		NIST
Ip	2002.00		NIST
Ip	2029.00		NIST
Ip	2020.00		NIST
Ip	2018.00		NIST
Ip	2020.00		NIST
Ip	1986.00		NIST
Ip	2007.00		NIST
Ip	2005.00		NIST
Ip	2004.00		NIST
Ip	2030.00		NIST
Ip	1979.00		NIST
Ip	2011.00		NIST
Ip	2023.00		NIST
Ip	2036.00		NIST
Ip	2028.00		NIST
Ip	Outlier 1962.00		NIST
Tboil	527.90	K	NIST
Tfus	269.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	402.00 ± 1.00	K	1.30	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
298.15	100.00	1031.0
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.68; 470.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.55910e+01
Coefficient B			7.04540e-01
Coefficient C			-2.72620e-04
Coefficient D			3.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.68	J/mol×K	273.00	Calculated Property
Cp,gas	250.86	J/mol×K	353.78	Calculated Property
Cp,gas	290.53	J/mol×K	434.56	Calculated Property
Cp,gas	326.70	J/mol×K	515.33	Calculated Property
Cp,gas	359.38	J/mol×K	596.11	Calculated Property
Cp,gas	388.57	J/mol×K	676.89	Calculated Property
Cp,gas	414.29	J/mol×K	757.67	Calculated Property
Cp,gas	436.55	J/mol×K	838.44	Calculated Property
Cp,gas	455.35	J/mol×K	919.22	Calculated Property
Cp,gas	470.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020936; 0.0001589]	Pa×s	[269.15; 514.27]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15789e+01
Coefficient B			1.45612e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			269.15
Temperature range, max.			514.27
η	0.0020936	Pa×s	269.15	Calculated Property
η	0.0012735	Pa×s	296.39	Calculated Property
η	0.0008422	Pa×s	323.62	Calculated Property
η	0.0005939	Pa×s	350.86	Calculated Property
η	0.0004405	Pa×s	378.09	Calculated Property
η	0.0003400	Pa×s	405.33	Calculated Property
η	0.0002712	Pa×s	432.57	Calculated Property
η	0.0002222	Pa×s	459.80	Calculated Property
η	0.0001861	Pa×s	487.04	Calculated Property
η	0.0001589	Pa×s	514.27	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 99.07]	kPa	[358.00; 521.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.75418e+01
Coefficient B			-6.23831e+03
Coefficient C			-3.91260e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			358.00
Temperature range, max.			521.00
Pvap	0.13	kPa	358.00	Calculated Property
Pvap	0.38	kPa	376.11	Calculated Property
Pvap	0.97	kPa	394.22	Calculated Property
Pvap	2.29	kPa	412.33	Calculated Property
Pvap	4.95	kPa	430.44	Calculated Property
Pvap	10.03	kPa	448.56	Calculated Property
Pvap	19.12	kPa	466.67	Calculated Property
Pvap	34.59	kPa	484.78	Calculated Property
Pvap	59.76	kPa	502.89	Calculated Property
Pvap	99.07	kPa	521.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-dimethoxy-4-(2-propenyl)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Physical Properties of Model and Real Systems Composed of Essential Oils and Hydroalcoholic Solvents at 298.2 K and Atmospheric Pressure
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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