Chemical Properties of Anisyl butyrate

InChI

InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3

InChI Key

MEPOOZLETHNMSR-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

CCCC(=O)OCc1ccc(OC)cc1

Molecular Weight¹

208.26

Other Names

• Butanoic acid, (4-methoxyphenyl)methyl ester
• Butyric acid, p-methoxybenzyl ester
• (4-Methoxyphenyl)methyl butanoate
• Benzyl alcohol, p-methoxy-, butyrate
• Methoxybenzyl butyrate, p-

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6529		Relay (1.0) Calculated Property
ΔfH°gas	-471.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.05	kJ/mol	Joback Calculated Property
ΔvapH°	72.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	2.538		Crippen Calculated Property
McVol	169.490	ml/mol	McGowan Calculated Property
Pc	2342.82	kPa	Joback Calculated Property
Inp	[1569.00; 1569.00]
Inp	1569.00		NIST
Inp	1569.00		NIST
I	[2274.00; 2274.00]
I	2274.00		NIST
I	2274.00		NIST
Tboil	545.83	K	Relay (1.0) Calculated Property
Tc	748.01	K	Relay (1.0) Calculated Property
Tfus	259.59	K	Relay (1.0) Calculated Property
Vc	0.632	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.53; 492.21]	J/mol×K	[586.46; 789.10]
Cp,gas	414.53	J/mol×K	586.46	Joback Calculated Property
Cp,gas	429.46	J/mol×K	620.23	Joback Calculated Property
Cp,gas	443.58	J/mol×K	654.01	Joback Calculated Property
Cp,gas	456.92	J/mol×K	687.78	Joback Calculated Property
Cp,gas	469.47	J/mol×K	721.55	Joback Calculated Property
Cp,gas	481.23	J/mol×K	755.33	Joback Calculated Property
Cp,gas	492.21	J/mol×K	789.10	Joback Calculated Property
η	[0.0001316; 0.0017540]	Pa×s	[328.50; 586.46]
η	0.0017540	Pa×s	328.50	Joback Calculated Property
η	0.0008873	Pa×s	371.49	Joback Calculated Property
η	0.0005170	Pa×s	414.49	Joback Calculated Property
η	0.0003335	Pa×s	457.48	Joback Calculated Property
η	0.0002319	Pa×s	500.47	Joback Calculated Property
η	0.0001708	Pa×s	543.47	Joback Calculated Property
η	0.0001316	Pa×s	586.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anisyl butyrate.

Sources

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

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