Chemical Properties of Acetic acid, 4-methylphenyl ester (CAS 140-39-6)

InChI

InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3

InChI Key

CDJJKTLOZJAGIZ-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

CC(=O)Oc1ccc(C)cc1

Molecular Weight¹

150.17

CAS

140-39-6

Other Names

• Acetic acid, p-tolyl ester
• p-Acetoxytoluene
• p-Cresol acetate
• p-Cresyl acetate
• p-Methylphenyl acetate
• p-Tolyl acetate
• p-Tolyl ethanoate
• Narceol
• 4-Acetoxytoluene
• 4-Methylphenyl acetate
• Cresyl acetate
• 4-Tolyl acetate
• Paracresyl acetate
• p-Cresylic acetate
• NSC 43244

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_p : 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	0.4948		Relay (1.0) Calculated Property
ΔfG°	-182.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.09	kJ/mol	Joback Calculated Property
ΔvapH°	57.23	kJ/mol	Relay (1.0) Calculated Property
IE	[7.84; 8.60]	eV
IE	7.84 ± 0.02	eV	NIST
IE	8.60 ± 0.20	eV	NIST
log10WS	-2.27		Relay (1.0) Calculated Property
logPoct/wat	1.920		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[1135.90; 1171.40]
Inp	1142.00		NIST
Inp	1142.40		NIST
Inp	1166.00		NIST
Inp	1142.00		NIST
Inp	1146.00		NIST
Inp	1135.90		NIST
Inp	1136.50		NIST
Inp	Outlier 1171.40		NIST
Inp	1151.00		NIST
Inp	1146.00		NIST
Inp	1150.00		NIST
Inp	1150.00		NIST
Inp	1166.00		NIST
Inp	1142.00		NIST
Inp	1146.00		NIST
Ip	[1670.00; 1741.00]
Ip	1741.00		NIST
Ip	1670.00		NIST
Ip	1722.30		NIST
Ip	1722.90		NIST
Ip	1684.00		NIST
Ip	1700.00		NIST
Ip	1700.00		NIST
Ip	1741.00		NIST
Ip	1700.00		NIST
Ip	1684.00		NIST
Ip	1670.00		NIST
Tboil	[483.70; 485.70]	K
Tboil	483.70	K	NIST
Tboil	485.70	K	NIST
Tc	699.44	K	Relay (1.0) Calculated Property
Tfus	273.86	K	Relay (1.0) Calculated Property
Vc	0.447	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.04; 370.19]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.10000e-01
Coefficient B			6.65640e-01
Coefficient C			-3.35360e-04
Coefficient D			3.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.04	J/mol×K	273.00	Calculated Property
Cp,gas	195.77	J/mol×K	353.78	Calculated Property
Cp,gas	229.67	J/mol×K	434.56	Calculated Property
Cp,gas	259.87	J/mol×K	515.33	Calculated Property
Cp,gas	286.48	J/mol×K	596.11	Calculated Property
Cp,gas	309.64	J/mol×K	676.89	Calculated Property
Cp,gas	329.46	J/mol×K	757.67	Calculated Property
Cp,gas	346.08	J/mol×K	838.44	Calculated Property
Cp,gas	359.61	J/mol×K	919.22	Calculated Property
Cp,gas	370.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025707; 0.0002036]	Pa×s	[272.46; 496.88]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.15782e+01
Coefficient B			1.52976e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			272.46
Temperature range, max.			496.88
η	0.0025707	Pa×s	272.46	Calculated Property
η	0.0016055	Pa×s	297.40	Calculated Property
η	0.0010784	Pa×s	322.33	Calculated Property
η	0.0007670	Pa×s	347.27	Calculated Property
η	0.0005710	Pa×s	372.20	Calculated Property
η	0.0004411	Pa×s	397.14	Calculated Property
η	0.0003513	Pa×s	422.07	Calculated Property
η	0.0002870	Pa×s	447.01	Calculated Property
η	0.0002395	Pa×s	471.94	Calculated Property
η	0.0002036	Pa×s	496.88	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 4-methylphenyl ester.

Sources

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

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