Chemical Properties of Benzene, 1-methyl-4-[(2-propenyloxy)methyl]-

InChI

InChI=1S/C11H14O/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3-7H,1,8-9H2,2H3

InChI Key

GWYIZVBRIVPDIQ-UHFFFAOYSA-N

Formula

C11H14O

SMILES

C=CCOCc1ccc(C)cc1

Molecular Weight¹

162.23

Other Names

• Allyl p-methylbenzyl ether
• Allyl 4-methylbenzyl ether
• Ether, allyl p-methylbenzyl

• 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 : 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°	17.81	kJ/mol	Joback Calculated Property
logPoct/wat	2.698		Crippen Calculated Property
McVol	143.660	ml/mol	McGowan Calculated Property
I	[1686.00; 1686.00]
I	1686.00		NIST
I	1686.00		NIST
Tboil	480.41	K	Relay (1.0) Calculated Property
Tfus	232.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.72; 455.25]	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			-4.20800e+00
Coefficient B			8.27220e-01
Coefficient C			-4.50660e-04
Coefficient D			8.29000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.72	J/mol×K	273.00	Calculated Property
Cp,gas	235.71	J/mol×K	353.78	Calculated Property
Cp,gas	276.97	J/mol×K	434.56	Calculated Property
Cp,gas	313.75	J/mol×K	515.33	Calculated Property
Cp,gas	346.33	J/mol×K	596.11	Calculated Property
Cp,gas	374.96	J/mol×K	676.89	Calculated Property
Cp,gas	399.90	J/mol×K	757.67	Calculated Property
Cp,gas	421.42	J/mol×K	838.44	Calculated Property
Cp,gas	439.79	J/mol×K	919.22	Calculated Property
Cp,gas	455.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018194; 0.0001867]	Pa×s	[273.14; 495.60]	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			-1.13810e+01
Coefficient B			1.38529e+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.			273.14
Temperature range, max.			495.60
η	0.0018194	Pa×s	273.14	Calculated Property
η	0.0011944	Pa×s	297.86	Calculated Property
η	0.0008363	Pa×s	322.58	Calculated Property
η	0.0006161	Pa×s	347.29	Calculated Property
η	0.0004726	Pa×s	372.01	Calculated Property
η	0.0003748	Pa×s	396.73	Calculated Property
η	0.0003054	Pa×s	421.45	Calculated Property
η	0.0002545	Pa×s	446.17	Calculated Property
η	0.0002162	Pa×s	470.89	Calculated Property
η	0.0001867	Pa×s	495.60	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-4-[(2-propenyloxy)methyl]-.

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

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