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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.38; 409.23]	J/mol×K	[504.92; 711.08]
Cp,gas	326.38	J/mol×K	504.92	Joback Calculated Property
Cp,gas	342.05	J/mol×K	539.28	Joback Calculated Property
Cp,gas	356.96	J/mol×K	573.64	Joback Calculated Property
Cp,gas	371.12	J/mol×K	608.00	Joback Calculated Property
Cp,gas	384.54	J/mol×K	642.36	Joback Calculated Property
Cp,gas	397.24	J/mol×K	676.72	Joback Calculated Property
Cp,gas	409.23	J/mol×K	711.08	Joback Calculated Property
η	[0.0001679; 0.0027032]	Pa×s	[259.90; 504.92]
η	0.0027032	Pa×s	259.90	Joback Calculated Property
η	0.0012422	Pa×s	300.74	Joback Calculated Property
η	0.0006875	Pa×s	341.57	Joback Calculated Property
η	0.0004317	Pa×s	382.41	Joback Calculated Property
η	0.0002965	Pa×s	423.25	Joback Calculated Property
η	0.0002176	Pa×s	464.08	Joback Calculated Property
η	0.0001679	Pa×s	504.92	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

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.
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