Chemical Properties of Benzoic acid, 4-(acetyloxy)-, methyl ester (CAS 24262-66-6)

InChI

InChI=1S/C10H10O4/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h3-6H,1-2H3

InChI Key

PGJQPLVEUVHSFQ-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

COC(=O)c1ccc(OC(C)=O)cc1

Molecular Weight¹

194.18

CAS

24262-66-6

Other Names

• Benzoic acid, p-hydroxy-, methyl ester, acetate
• Methyl 4-acetyloxybenzoate
• Methyl p-acetoxybenzoate
• Methyl-4-acetoxybenzoate
• p-(Methoxycarbonyl)phenyl acetate

• 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	0.6242		Relay (1.0) Calculated Property
ΔfH°gas	-632.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.05	kJ/mol	Joback Calculated Property
ΔvapH°	77.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Aq. Solubility Prediction
logPoct/wat	1.398		Crippen Calculated Property
McVol	142.880	ml/mol	McGowan Calculated Property
Pc	2915.53	kPa	Joback Calculated Property
Inp	[1499.00; 1499.00]
Inp	1499.00		NIST
Inp	1499.00		NIST
Tboil	547.07	K	Relay (1.0) Calculated Property
Tc	748.08	K	Relay (1.0) Calculated Property
Tfus	334.57	K	Relay (1.0) Calculated Property
Vc	0.534	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	[332.72; 395.80]	J/mol×K	[576.50; 791.05]
Cp,gas	332.72	J/mol×K	576.50	Joback Calculated Property
Cp,gas	345.19	J/mol×K	612.26	Joback Calculated Property
Cp,gas	356.88	J/mol×K	648.02	Joback Calculated Property
Cp,gas	367.79	J/mol×K	683.78	Joback Calculated Property
Cp,gas	377.91	J/mol×K	719.54	Joback Calculated Property
Cp,gas	387.25	J/mol×K	755.29	Joback Calculated Property
Cp,gas	395.80	J/mol×K	791.05	Joback Calculated Property
η	[0.0001516; 0.0022172]	Pa×s	[326.06; 576.50]
η	0.0022172	Pa×s	326.06	Joback Calculated Property
η	0.0011001	Pa×s	367.80	Joback Calculated Property
η	0.0006296	Pa×s	409.54	Joback Calculated Property
η	0.0003996	Pa×s	451.28	Joback Calculated Property
η	0.0002739	Pa×s	493.02	Joback Calculated Property
η	0.0001991	Pa×s	534.76	Joback Calculated Property
η	0.0001516	Pa×s	576.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(acetyloxy)-, methyl ester.

Sources

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

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