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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4605		Relay (1.0) Calculated Property
ΔfG°	37.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.56	kJ/mol	Joback Calculated Property
ΔvapH°	57.92	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	701.28	K	Relay (1.0) Calculated Property
Tfus	267.20	K	Relay (1.0) Calculated Property
Vc	0.525	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.28; 409.13]	J/mol×K	[504.72; 710.80]
Cp,gas	326.28	J/mol×K	504.72	Joback Calculated Property
Cp,gas	341.96	J/mol×K	539.07	Joback Calculated Property
Cp,gas	356.87	J/mol×K	573.41	Joback Calculated Property
Cp,gas	371.02	J/mol×K	607.76	Joback Calculated Property
Cp,gas	384.44	J/mol×K	642.11	Joback Calculated Property
Cp,gas	397.14	J/mol×K	676.45	Joback Calculated Property
Cp,gas	409.13	J/mol×K	710.80	Joback Calculated Property
η	[0.0001681; 0.0027032]	Pa×s	[259.90; 504.72]
η	0.0027032	Pa×s	259.90	Joback Calculated Property
η	0.0012429	Pa×s	300.70	Joback Calculated Property
η	0.0006880	Pa×s	341.51	Joback Calculated Property
η	0.0004321	Pa×s	382.31	Joback Calculated Property
η	0.0002969	Pa×s	423.11	Joback Calculated Property
η	0.0002179	Pa×s	463.92	Joback Calculated Property
η	0.0001681	Pa×s	504.72	Joback 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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