Chemical Properties of m-Cresyl acetate (CAS 122-46-3)

InChI

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

InChI Key

OTGAHJPFNKQGAE-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

CC(=O)Oc1cccc(C)c1

Molecular Weight¹

150.17

CAS

122-46-3

Other Names

• 3-Acetoxytoluene
• 3-Methylphenol acetate
• 3-Methylphenyl acetate
• 3-Methylphenyl ester of acetic acid
• 3-Tolyl acetate
• Acetic acid m-cresol ester
• Acetic acid, 3-methylphenyl ester
• Acetic acid, m-methylphenyl ester
• Acetic acid, m-tolyl ester
• Acetylmetacresol
• Cresatin
• Cresatin-Sulzberger
• Kresatin
• Metacresol acetate
• NSC 4795
• m-Acetoxytoluene
• m-Cresol acetate
• m-Cresol acetic acid ester
• m-Methylphenyl acetate
• m-Tolyl acetate

• 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_subH : Enthalpy of sublimation at a given temperature (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	0.4911		Relay (1.0) Calculated Property
ΔfG°	-182.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.09	kJ/mol	Joback Calculated Property
ΔvapH°	58.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.00 ± 0.20	eV	NIST
log10WS	-2.14		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	[1136.00; 1144.00]
Inp	1136.00		NIST
Inp	1144.00		NIST
Ip	1756.00		NIST
Tboil	485.20	K	NIST
Tc	702.81	K	Relay (1.0) Calculated Property
Tfus	285.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.449	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	[0.0020024; 0.0002036]	Pa×s	[285.15; 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.			285.15
Temperature range, max.			496.88
η	0.0020024	Pa×s	285.15	Calculated Property
η	0.0013304	Pa×s	308.68	Calculated Property
η	0.0009366	Pa×s	332.20	Calculated Property
η	0.0006907	Pa×s	355.73	Calculated Property
η	0.0005290	Pa×s	379.25	Calculated Property
η	0.0004180	Pa×s	402.78	Calculated Property
η	0.0003389	Pa×s	426.30	Calculated Property
η	0.0002809	Pa×s	449.83	Calculated Property
η	0.0002372	Pa×s	473.35	Calculated Property
η	0.0002036	Pa×s	496.88	Calculated Property

Similar Compounds

Find more compounds similar to m-Cresyl acetate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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