Chemical Properties of Benzoic acid, 2-phenoxy-, methyl ester (CAS 21905-56-6)

InChI

InChI=1S/C14H12O3/c1-16-14(15)12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10H,1H3

InChI Key

PUGYLBSXMKBSRP-UHFFFAOYSA-N

Formula

C14H12O3

SMILES

COC(=O)c1ccccc1Oc1ccccc1

Molecular Weight¹

228.24

CAS

21905-56-6

Other Names

• Benzoic acid, o-phenoxy-, methyl ester
• Methyl o-phenoxybenzoate
• Methyl 2-phenoxybenzoate

• 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).
• 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
ΔfG°	-56.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-247.72	kJ/mol	Joback Calculated Property
ΔfusH°	23.68	kJ/mol	Joback Calculated Property
ΔvapH°	63.54	kJ/mol	Joback Calculated Property
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	3.265		Crippen Calculated Property
McVol	173.910	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Inp	[1969.00; 1969.00]
Inp	1969.00		NIST
Inp	1969.00		NIST
Tboil	676.77	K	Joback Calculated Property
Tc	916.60	K	Joback Calculated Property
Tfus	407.29	K	Joback Calculated Property
Vc	0.645	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[440.07; 511.55]	J/mol×K	[676.77; 916.60]
Cp,gas	440.07	J/mol×K	676.77	Joback Calculated Property
Cp,gas	454.76	J/mol×K	716.74	Joback Calculated Property
Cp,gas	468.31	J/mol×K	756.71	Joback Calculated Property
Cp,gas	480.73	J/mol×K	796.68	Joback Calculated Property
Cp,gas	492.07	J/mol×K	836.66	Joback Calculated Property
Cp,gas	502.33	J/mol×K	876.63	Joback Calculated Property
Cp,gas	511.55	J/mol×K	916.60	Joback Calculated Property
η	[0.0001185; 0.0009553]	Pa×s	[407.29; 676.77]
η	0.0009553	Pa×s	407.29	Joback Calculated Property
η	0.0005676	Pa×s	452.20	Joback Calculated Property
η	0.0003705	Pa×s	497.12	Joback Calculated Property
η	0.0002596	Pa×s	542.03	Joback Calculated Property
η	0.0001921	Pa×s	586.94	Joback Calculated Property
η	0.0001483	Pa×s	631.86	Joback Calculated Property
η	0.0001185	Pa×s	676.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-phenoxy-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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