Chemical Properties of Phenol, 2-methoxy-, acetate (CAS 613-70-7)

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

166.17

CAS

613-70-7

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

• 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_boilr : Boiling point at reduced pressure (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	0.5448		Relay (... Calculated Property
ΔfG°	-211.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-430.13	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.69	kJ/mol	Joback Calculated Property
ΔvapH°	67.89	kJ/mol	Relay (... Calculated Property
IE	8.04	eV	Relay (... Calculated Property
log10WS	-1.67		Relay (... Calculated Property
logPoct/wat	1.620		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	3314.37	kPa	Joback Calculated Property
Inp	1195.00		NIST
I	[2123.00; 2123.00]
I	2123.00		NIST
I	2123.00		NIST
Tboil	510.73	K	Relay (... Calculated Property
Tc	715.77	K	Relay (... Calculated Property
Tfus	294.05	K	Relay (... Calculated Property
Vc	0.472	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.97; 342.37]	J/mol×K	[535.69; 750.72]
Cp,gas	278.97	J/mol×K	535.69	Joback Calculated Property
Cp,gas	291.01	J/mol×K	571.53	Joback Calculated Property
Cp,gas	302.48	J/mol×K	607.37	Joback Calculated Property
Cp,gas	313.35	J/mol×K	643.20	Joback Calculated Property
Cp,gas	323.62	J/mol×K	679.04	Joback Calculated Property
Cp,gas	333.30	J/mol×K	714.88	Joback Calculated Property
Cp,gas	342.37	J/mol×K	750.72	Joback Calculated Property
η	[0.0001861; 0.0013483]	Pa×s	[324.52; 535.69]
η	0.0013483	Pa×s	324.52	Joback Calculated Property
η	0.0008247	Pa×s	359.72	Joback Calculated Property
η	0.0005507	Pa×s	394.91	Joback Calculated Property
η	0.0003928	Pa×s	430.11	Joback Calculated Property
η	0.0002949	Pa×s	465.30	Joback Calculated Property
η	0.0002305	Pa×s	500.50	Joback Calculated Property
η	0.0001861	Pa×s	535.69	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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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