Chemical Properties of Benzeneacetic acid, 4-hydroxy-, methyl ester

InChI

InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3

InChI Key

XGDZEDRBLVIUMX-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COC(=O)Cc1ccc(O)cc1

Molecular Weight¹

166.18

Other Names

• Acetic acid, (p-hydroxyphenyl)-, methyl ester
• Methyl (p-hydroxyphenyl)acetate
• Methyl (4-hydroxyphenyl)acetate
• 4-Hydroxyphenylacetic acid methyl ester
• p-Hydroxyphenylacetic acid methyl ester

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔfH°gas	-455.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.26	kJ/mol	Joback Calculated Property
ΔvapH°	80.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-1.21		Relay (1.0) Calculated Property
logPoct/wat	1.108		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	3920.94	kPa	Joback Calculated Property
Inp	[1446.00; 1460.00]
Inp	1460.00		NIST
Inp	1446.00		NIST
Inp	1446.00		NIST
Inp	1460.00		NIST
Inp	1460.00		NIST
Tboil	550.75	K	Relay (1.0) Calculated Property
Tc	763.54	K	Relay (1.0) Calculated Property
Tfus	329.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[301.59; 359.81]	J/mol×K	[571.04; 796.48]
Cp,gas	301.59	J/mol×K	571.04	Joback Calculated Property
Cp,gas	313.19	J/mol×K	608.61	Joback Calculated Property
Cp,gas	323.95	J/mol×K	646.19	Joback Calculated Property
Cp,gas	333.92	J/mol×K	683.76	Joback Calculated Property
Cp,gas	343.19	J/mol×K	721.34	Joback Calculated Property
Cp,gas	351.79	J/mol×K	758.91	Joback Calculated Property
Cp,gas	359.81	J/mol×K	796.48	Joback Calculated Property
η	[0.0000410; 0.0019188]	Pa×s	[371.66; 571.04]
η	0.0019188	Pa×s	371.66	Joback Calculated Property
η	0.0007770	Pa×s	404.89	Joback Calculated Property
η	0.0003609	Pa×s	438.12	Joback Calculated Property
η	0.0001868	Pa×s	471.35	Joback Calculated Property
η	0.0001054	Pa×s	504.58	Joback Calculated Property
η	0.0000639	Pa×s	537.81	Joback Calculated Property
η	0.0000410	Pa×s	571.04	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzeneacetic acid, 4-hydroxy-, methyl ester.

Sources

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

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