Chemical Properties of METHYL P-ACETYLBENZOATE

InChI

InChI=1S/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3

InChI Key

QNTSFZXGLAHYLC-UHFFFAOYSA-N

Formula

C10H10O3

SMILES

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

Molecular Weight¹

178.19

Other Names

• 4-Acetylbenzoic acid, methyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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.
• 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	0.5755		Relay (1.0) Calculated Property
EA	[0.94; 0.96]	eV
EA	0.96 ± 0.09	eV	NIST
EA	0.94 ± 0.09	eV	NIST
ΔfG°	-303.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
ΔvapH°	82.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-2.56		Relay (1.0) Calculated Property
logPoct/wat	1.676		Crippen Calculated Property
McVol	137.010	ml/mol	McGowan Calculated Property
Pc	3107.10	kPa	Joback Calculated Property
Inp	[1439.00; 1439.00]
Inp	1439.00		NIST
Inp	1439.00		NIST
Tboil	545.91	K	Relay (1.0) Calculated Property
Tc	753.13	K	Relay (1.0) Calculated Property
Tfus	350.42	K	Relay (1.0) Calculated Property
Vc	0.512	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.59; 375.39]	J/mol×K	[572.15; 791.71]
Cp,gas	312.59	J/mol×K	572.15	Joback Calculated Property
Cp,gas	324.98	J/mol×K	608.74	Joback Calculated Property
Cp,gas	336.59	J/mol×K	645.34	Joback Calculated Property
Cp,gas	347.42	J/mol×K	681.93	Joback Calculated Property
Cp,gas	357.49	J/mol×K	718.52	Joback Calculated Property
Cp,gas	366.80	J/mol×K	755.11	Joback Calculated Property
Cp,gas	375.39	J/mol×K	791.71	Joback Calculated Property
η	[0.0002058; 0.0021285]	Pa×s	[333.66; 572.15]
η	0.0021285	Pa×s	333.66	Joback Calculated Property
η	0.0011721	Pa×s	373.41	Joback Calculated Property
η	0.0007240	Pa×s	413.16	Joback Calculated Property
η	0.0004866	Pa×s	452.90	Joback Calculated Property
η	0.0003487	Pa×s	492.65	Joback Calculated Property
η	0.0002627	Pa×s	532.40	Joback Calculated Property
η	0.0002058	Pa×s	572.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to METHYL P-ACETYLBENZOATE.

Sources

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

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