Chemical Properties of Acetic acid, 2-methylphenyl ester

InChI

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

InChI Key

AMZORBZSQRUXNC-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

CC(=O)Oc1ccccc1C

Molecular Weight¹

150.18

Other Names

• Acetic acid, o-tolyl ester
• o-Acetoxytoluene
• o-Cresol acetate
• o-Cresyl acetate
• o-Cresylic acetate
• o-Methylphenyl acetate
• o-Tolyl acetate
• Acetyl-o-cresol
• 2-Methylphenyl acetate
• 2-Methylphenyl ester of acetic acid
• 2-Acetoxytoluene
• NSC 58961

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-317.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.09	kJ/mol	Joback Calculated Property
ΔvapH°	59.69	kJ/mol	Relay (1.0) Calculated Property
IE	[8.38; 9.10]	eV
IE	8.38 ± 0.02	eV	NIST
IE	9.10	eV	NIST
log10WS	-1.90		Relay (1.0) Calculated Property
logPoct/wat	1.920		Crippen Calculated Property
McVol	121.350	ml/mol	McGowan Calculated Property
Inp	[1109.00; 1122.00]
Inp	1111.00		NIST
Inp	1109.00		NIST
Inp	1122.00		NIST
Inp	1111.00		NIST
I	[1716.00; 1716.00]
I	1716.00		NIST
I	1716.00		NIST
Tboil	481.20	K	NIST
Tc	700.84	K	Relay (1.0) Calculated Property
Tfus	252.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.75; 318.12]	J/mol×K	[495.40; 709.82]
Cp,gas	252.75	J/mol×K	495.40	Joback Calculated Property
Cp,gas	265.35	J/mol×K	531.14	Joback Calculated Property
Cp,gas	277.25	J/mol×K	566.87	Joback Calculated Property
Cp,gas	288.47	J/mol×K	602.61	Joback Calculated Property
Cp,gas	299.01	J/mol×K	638.35	Joback Calculated Property
Cp,gas	308.89	J/mol×K	674.09	Joback Calculated Property
Cp,gas	318.12	J/mol×K	709.82	Joback Calculated Property
η	[0.0002055; 0.0025707]	Pa×s	[272.46; 495.40]
η	0.0025707	Pa×s	272.46	Joback Calculated Property
η	0.0013105	Pa×s	309.62	Joback Calculated Property
η	0.0007718	Pa×s	346.77	Joback Calculated Property
η	0.0005036	Pa×s	383.93	Joback Calculated Property
η	0.0003543	Pa×s	421.09	Joback Calculated Property
η	0.0002639	Pa×s	458.24	Joback Calculated Property
η	0.0002055	Pa×s	495.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 2-methylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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