Chemical Properties of Benzene, 1,2-dimethoxy-4-(1-propenyl)- (CAS 93-16-3)

InChI

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

InChI Key

NNWHUJCUHAELCL-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC=Cc1ccc(OC)c(OC)c1

Molecular Weight¹

178.23

CAS

93-16-3

Other Names

• 1,2-Dimethoxy-4-(1-propenyl)-benzene
• 1,3,4-Isoeugenol methyl ether
• 1-(3,4-Dimethoxyphenyl)-1-propene
• 1-Propene, 1-(3,4-dimethoxyphenyl)-
• 1-Veratryl-1-propene
• 3,4-Dimethoxypropenylbenzene
• 4-Propenyl-1,2-dimethoxybenzene
• 4-Propenylveratrole
• 4-prop-1-enylveratrole
• Benzene, 1,2-dimethoxy-4-(1-propen-1-yl)-
• Benzene, 1,2-dimethoxy-4-propenyl-
• Benzene, 4-(1-propenyl)-1,2-dimethoxy
• Isoeugenol methyl ether
• Isoeugenyl methyl ether
• Isohomogenol
• Isomethyleugenol
• Methylisoeugenol
• NSC 46111
• O-Methylisoeugenol
• Veratrole, 4-propenyl-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_p : 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	[1455.00; 1520.00]
Inp	1492.00		NIST
Inp	1468.00		NIST
Inp	1495.00		NIST
Inp	1508.00		NIST
Inp	Outlier 1520.00		NIST
Inp	1455.00		NIST
Inp	1461.00		NIST
Inp	1480.00		NIST
Inp	1492.00		NIST
Inp	1492.00		NIST
Inp	1492.00		NIST
Inp	1504.00		NIST
Inp	1491.00		NIST
Inp	1468.00		NIST
Inp	1468.00		NIST
Inp	1492.00		NIST
Inp	1466.00		NIST
Inp	1462.00		NIST
Inp	1480.00		NIST
Ip	[2126.00; 2196.00]
Ip	2189.00		NIST
Ip	2196.00		NIST
Ip	Outlier 2126.00		NIST
Ip	2185.00		NIST
Ip	2176.00		NIST
Ip	2194.00		NIST
Tboil	536.20	K	NIST
Tfus	291.15	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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.48; 468.64]	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			2.44000e+01
Coefficient B			7.44560e-01
Coefficient C			-3.33520e-04
Coefficient D			3.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.48	J/mol×K	273.00	Calculated Property
Cp,gas	247.54	J/mol×K	353.78	Calculated Property
Cp,gas	287.70	J/mol×K	434.56	Calculated Property
Cp,gas	324.07	J/mol×K	515.33	Calculated Property
Cp,gas	356.76	J/mol×K	596.11	Calculated Property
Cp,gas	385.87	J/mol×K	676.89	Calculated Property
Cp,gas	411.51	J/mol×K	757.67	Calculated Property
Cp,gas	433.78	J/mol×K	838.44	Calculated Property
Cp,gas	452.79	J/mol×K	919.22	Calculated Property
Cp,gas	468.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012831; 0.0001312]	Pa×s	[291.15; 522.99]	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			-1.18019e+01
Coefficient B			1.49752e+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.			291.15
Temperature range, max.			522.99
η	0.0012831	Pa×s	291.15	Calculated Property
η	0.0008447	Pa×s	316.91	Calculated Property
η	0.0005921	Pa×s	342.67	Calculated Property
η	0.0004362	Pa×s	368.43	Calculated Property
η	0.0003345	Pa×s	394.19	Calculated Property
η	0.0002650	Pa×s	419.95	Calculated Property
η	0.0002156	Pa×s	445.71	Calculated Property
η	0.0001794	Pa×s	471.47	Calculated Property
η	0.0001522	Pa×s	497.23	Calculated Property
η	0.0001312	Pa×s	522.99	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-dimethoxy-4-(1-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
• Joback Method
• McGowan Method
• NIST Webbook

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