Chemical Properties of Phenol, 2-methoxy-, acetate

InChI

InChI=1S/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3

InChI Key

BHJHPYFAYGAPLS-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COc1ccccc1OC(C)=O

Molecular Weight¹

166.18

Other Names

• Phenol, o-methoxy-, acetate
• o-Acetoxyanisole
• o-Methoxyphenyl acetate
• Eucol
• Guaiacol acetate
• Guaiacyl acetate
• 1-Acetoxy-2-methoxybenzene
• 2-Methoxyphenyl acetate
• o-Anisyl acetate
• 2-Acetoxyanisole
• NSC 3831
• O-Acetylguaiacol
• Phenol, 2-methoxy-, 1-acetate
• Guaiaol acetate
• Acetic acid, 2-methoxyphenyl 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).
• I_np : Non-polar retention indices.
• I : 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	-430.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	68.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-1.67		Relay (1.0) Calculated Property
logPoct/wat	1.620		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Inp	1195.00		NIST
I	[2123.00; 2123.00]
I	2123.00		NIST
I	2123.00		NIST
Tboil	510.73	K	Relay (1.0) Calculated Property
Tc	719.35	K	Relay (1.0) Calculated Property
Tfus	287.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, 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	[275.67; 340.27]	J/mol×K	[517.82; 730.12]
Cp,gas	275.67	J/mol×K	517.82	Joback Calculated Property
Cp,gas	288.01	J/mol×K	553.20	Joback Calculated Property
Cp,gas	299.73	J/mol×K	588.59	Joback Calculated Property
Cp,gas	310.82	J/mol×K	623.97	Joback Calculated Property
Cp,gas	321.28	J/mol×K	659.36	Joback Calculated Property
Cp,gas	331.09	J/mol×K	694.74	Joback Calculated Property
Cp,gas	340.27	J/mol×K	730.12	Joback Calculated Property
η	[0.0001712; 0.0019159]	Pa×s	[294.69; 517.82]
η	0.0019159	Pa×s	294.69	Joback Calculated Property
η	0.0010223	Pa×s	331.88	Joback Calculated Property
η	0.0006191	Pa×s	369.07	Joback Calculated Property
η	0.0004110	Pa×s	406.25	Joback Calculated Property
η	0.0002923	Pa×s	443.44	Joback Calculated Property
η	0.0002191	Pa×s	480.63	Joback Calculated Property
η	0.0001712	Pa×s	517.82	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[396.20; 396.70]	K	[1.70; 2.40]
Tboilr	396.70	K	1.70	NIST
Tboilr	396.20	K	2.40	NIST

Similar Compounds

Find more compounds similar to Phenol, 2-methoxy-, acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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