Chemical Properties of Phenol, 3,4-dimethyl-, acetate (CAS 22618-23-1)

InChI

InChI=1S/C10H12O2/c1-7-4-5-10(6-8(7)2)12-9(3)11/h4-6H,1-3H3

InChI Key

ZFIOOTIKKICLOR-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CC(=O)Oc1ccc(C)c(C)c1

Molecular Weight¹

164.20

CAS

22618-23-1

Other Names

• 3,4-xylyl acetate

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.80; 418.74]	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			1.39000e+01
Coefficient B			7.01160e-01
Coefficient C			-3.22720e-04
Coefficient D			2.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.80	J/mol×K	273.00	Calculated Property
Cp,gas	222.73	J/mol×K	353.78	Calculated Property
Cp,gas	259.82	J/mol×K	434.56	Calculated Property
Cp,gas	293.14	J/mol×K	515.33	Calculated Property
Cp,gas	322.78	J/mol×K	596.11	Calculated Property
Cp,gas	348.83	J/mol×K	676.89	Calculated Property
Cp,gas	371.37	J/mol×K	757.67	Calculated Property
Cp,gas	390.48	J/mol×K	838.44	Calculated Property
Cp,gas	406.24	J/mol×K	919.22	Calculated Property
Cp,gas	418.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018634; 0.0001956]	Pa×s	[296.25; 514.85]	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			-1.15939e+01
Coefficient B			1.57266e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			296.25
Temperature range, max.			514.85
η	0.0018634	Pa×s	296.25	Calculated Property
η	0.0012463	Pa×s	320.54	Calculated Property
η	0.0008821	Pa×s	344.83	Calculated Property
η	0.0006534	Pa×s	369.12	Calculated Property
η	0.0005023	Pa×s	393.40	Calculated Property
η	0.0003981	Pa×s	417.69	Calculated Property
η	0.0003237	Pa×s	441.98	Calculated Property
η	0.0002689	Pa×s	466.27	Calculated Property
η	0.0002276	Pa×s	490.56	Calculated Property
η	0.0001956	Pa×s	514.85	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3,4-dimethyl-, acetate.

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

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