Chemical Properties of Acetic acid, phenoxy-, methyl ester (CAS 2065-23-8)

InChI

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

InChI Key

BZCKRPHEZOHHBK-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

COC(=O)COc1ccccc1

Molecular Weight¹

166.17

CAS

2065-23-8

Other Names

• Methyl phenoxyacetate
• Phenoxyacetic acid methyl ester

• 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.
• 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	0.5281		Relay (1.0) Calculated Property
ΔfH°gas	-404.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.66	kJ/mol	Joback Calculated Property
ΔvapH°	71.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-1.79		Relay (1.0) Calculated Property
logPoct/wat	1.238		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	3217.33	kPa	Joback Calculated Property
Inp	[221.90; 1271.00]
Inp	1260.00		NIST
Inp	1271.00		NIST
Inp	221.90		NIST
Inp	1271.00		NIST
Inp	221.90		NIST
Tboil	[516.20; 518.20]	K
Tboil	516.20	K	NIST
Tboil	518.20	K	NIST
Tc	718.44	K	Relay (1.0) Calculated Property
Tfus	283.74	K	Relay (1.0) Calculated Property
Vc	0.468	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	[275.81; 341.79]	J/mol×K	[512.84; 723.97]
Cp,gas	275.81	J/mol×K	512.84	Joback Calculated Property
Cp,gas	288.51	J/mol×K	548.03	Joback Calculated Property
Cp,gas	300.52	J/mol×K	583.22	Joback Calculated Property
Cp,gas	311.85	J/mol×K	618.41	Joback Calculated Property
Cp,gas	322.51	J/mol×K	653.60	Joback Calculated Property
Cp,gas	332.49	J/mol×K	688.79	Joback Calculated Property
Cp,gas	341.79	J/mol×K	723.97	Joback Calculated Property
η	[0.0001776; 0.0026820]	Pa×s	[282.17; 512.84]
η	0.0026820	Pa×s	282.17	Joback Calculated Property
η	0.0013006	Pa×s	320.62	Joback Calculated Property
η	0.0007364	Pa×s	359.06	Joback Calculated Property
η	0.0004655	Pa×s	397.50	Joback Calculated Property
η	0.0003190	Pa×s	435.95	Joback Calculated Property
η	0.0002324	Pa×s	474.39	Joback Calculated Property
η	0.0001776	Pa×s	512.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, phenoxy-, methyl ester.

Sources

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

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