Chemical Properties of Benzene, 1-methoxy-4-(1-methylpropyl)- (CAS 4917-90-2)

InChI

InChI=1S/C11H16O/c1-4-9(2)10-5-7-11(12-3)8-6-10/h5-9H,4H2,1-3H3

InChI Key

SNFIOPFQNROLBN-UHFFFAOYSA-N

Formula

C11H16O

SMILES

CCC(C)c1ccc(OC)cc1

Molecular Weight¹

164.24

CAS

4917-90-2

Other Names

• 1-Sec-butyl-4-methoxybenzene
• Anisole, 4-sec-butyl
• 4-sec-Butylanisole

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4605		Relay (1.0) Calculated Property
ΔfH°gas	-179.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.56	kJ/mol	Joback Calculated Property
ΔvapH°	59.44	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	3.209		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	2584.59	kPa	Joback Calculated Property
Inp	[1236.00; 1254.00]
Inp	1254.00		NIST
Inp	1236.00		NIST
Inp	1254.00		NIST
I	1737.00		NIST
Tboil	497.12	K	Relay (1.0) Calculated Property
Tc	704.35	K	Relay (1.0) Calculated Property
Tfus	262.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[199.22; 484.30]	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			-2.89900e+00
Coefficient B			8.53160e-01
Coefficient C			-4.30960e-04
Coefficient D			6.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.22	J/mol×K	273.00	Calculated Property
Cp,gas	247.87	J/mol×K	353.78	Calculated Property
Cp,gas	291.80	J/mol×K	434.56	Calculated Property
Cp,gas	331.21	J/mol×K	515.33	Calculated Property
Cp,gas	366.31	J/mol×K	596.11	Calculated Property
Cp,gas	397.30	J/mol×K	676.89	Calculated Property
Cp,gas	424.39	J/mol×K	757.67	Calculated Property
Cp,gas	447.78	J/mol×K	838.44	Calculated Property
Cp,gas	467.68	J/mol×K	919.22	Calculated Property
Cp,gas	484.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027032; 0.0001752]	Pa×s	[259.90; 497.76]	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			-1.16396e+01
Coefficient B			1.48827e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			259.90
Temperature range, max.			497.76
η	0.0027032	Pa×s	259.90	Calculated Property
η	0.0015935	Pa×s	286.33	Calculated Property
η	0.0010270	Pa×s	312.76	Calculated Property
η	0.0007089	Pa×s	339.19	Calculated Property
η	0.0005162	Pa×s	365.61	Calculated Property
η	0.0003923	Pa×s	392.04	Calculated Property
η	0.0003087	Pa×s	418.47	Calculated Property
η	0.0002499	Pa×s	444.90	Calculated Property
η	0.0002072	Pa×s	471.33	Calculated Property
η	0.0001752	Pa×s	497.76	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methoxy-4-(1-methylpropyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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